Organic zwitterions

Organic zwitterions
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GW 9662, Tocris Bioscience™
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CAS: 22978-25-2 Molecular Formula: C13H9ClN2O3 Molecular Weight (g/mol): 276.676 InChI Key: DNTSIBUQMRRYIU-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzanilide,2-chloro-5-nitro-n-phenyl-benzamide,2-chloro-5-nitro-n-4-phenylbenzamide,2-chloro-5-nitrophenyl-n-benzamide,tocris-1508,spectrum5_001989,lopac-m-6191,d00acx,d05thb,dsstox_cid_20723 PubChem CID: 644213 ChEBI: CHEBI:79993 IUPAC Name: 2-chloro-5-nitro-N-phenylbenzamide SMILES: C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl
PubChem CID | 644213 |
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CAS | 22978-25-2 |
Molecular Weight (g/mol) | 276.676 |
ChEBI | CHEBI:79993 |
SMILES | C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl |
Synonym | 2-chloro-5-nitrobenzanilide,2-chloro-5-nitro-n-phenyl-benzamide,2-chloro-5-nitro-n-4-phenylbenzamide,2-chloro-5-nitrophenyl-n-benzamide,tocris-1508,spectrum5_001989,lopac-m-6191,d00acx,d05thb,dsstox_cid_20723 |
IUPAC Name | 2-chloro-5-nitro-N-phenylbenzamide |
InChI Key | DNTSIBUQMRRYIU-UHFFFAOYSA-N |
Molecular Formula | C13H9ClN2O3 |
4-Fluoro-5-nitrobenzene-1,2-diamine, Technical Grade, Thermo Scientific™
CAS: 113269-06-0 Molecular Formula: C6H6FN3O2 Molecular Weight (g/mol): 171.131 InChI Key: QZNALIMEKAACKP-UHFFFAOYSA-N PubChem CID: 3782733 IUPAC Name: 4-fluoro-5-nitrobenzene-1,2-diamine SMILES: C1=C(C(=CC(=C1[N+](=O)[O-])F)N)N
PubChem CID | 3782733 |
---|---|
CAS | 113269-06-0 |
Molecular Weight (g/mol) | 171.131 |
SMILES | C1=C(C(=CC(=C1[N+](=O)[O-])F)N)N |
IUPAC Name | 4-fluoro-5-nitrobenzene-1,2-diamine |
InChI Key | QZNALIMEKAACKP-UHFFFAOYSA-N |
Molecular Formula | C6H6FN3O2 |
2-Chloro-5-nitro-1,4-phenylenediamine 95.0+%, TCI America™
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CAS: 26196-45-2 Molecular Formula: C6H6ClN3O2 Molecular Weight (g/mol): 187.58 MDL Number: MFCD00190136 InChI Key: VUNAQOGRLGNALG-UHFFFAOYSA-N Synonym: 1,4-Diamino-2-chloro-5-nitrobenzene PubChem CID: 5484290 IUPAC Name: 2-chloro-5-nitrobenzene-1,4-diamine SMILES: NC1=CC(=C(N)C=C1Cl)[N+]([O-])=O
PubChem CID | 5484290 |
---|---|
CAS | 26196-45-2 |
Molecular Weight (g/mol) | 187.58 |
MDL Number | MFCD00190136 |
SMILES | NC1=CC(=C(N)C=C1Cl)[N+]([O-])=O |
Synonym | 1,4-Diamino-2-chloro-5-nitrobenzene |
IUPAC Name | 2-chloro-5-nitrobenzene-1,4-diamine |
InChI Key | VUNAQOGRLGNALG-UHFFFAOYSA-N |
Molecular Formula | C6H6ClN3O2 |
3-Chloro-4-nitroaniline 96.0+%, TCI America™
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CAS: 825-41-2 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.568 MDL Number: MFCD00085922 InChI Key: LDSIOPGMLLPSSR-UHFFFAOYSA-N Synonym: benzenamine, 3-chloro-4-nitro,aniline, 3-chloro-4-nitro,3-chlor-4-nitroanilin,3-chloro-4-nitrobenzenamine,zlchem 908,pubchem9594,acmc-209ppd,2-chloro-4-aminonitrobenzene,4-amino-2-chloronitrobenzene,3-chloro-4-nitro-phenylamine PubChem CID: 69996 IUPAC Name: 3-chloro-4-nitroaniline SMILES: C1=CC(=C(C=C1N)Cl)[N+](=O)[O-]
PubChem CID | 69996 |
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CAS | 825-41-2 |
Molecular Weight (g/mol) | 172.568 |
MDL Number | MFCD00085922 |
SMILES | C1=CC(=C(C=C1N)Cl)[N+](=O)[O-] |
Synonym | benzenamine, 3-chloro-4-nitro,aniline, 3-chloro-4-nitro,3-chlor-4-nitroanilin,3-chloro-4-nitrobenzenamine,zlchem 908,pubchem9594,acmc-209ppd,2-chloro-4-aminonitrobenzene,4-amino-2-chloronitrobenzene,3-chloro-4-nitro-phenylamine |
IUPAC Name | 3-chloro-4-nitroaniline |
InChI Key | LDSIOPGMLLPSSR-UHFFFAOYSA-N |
Molecular Formula | C6H5ClN2O2 |
4-Nitro-1,3-phenylenediamine 98.0+%, TCI America™
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CAS: 5131-58-8 Molecular Formula: C6H7N3O2 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00025289 InChI Key: DPIZKMGPXNXSGL-UHFFFAOYSA-N Synonym: 4-nitro-m-phenylenediamine,4-nitro-1,3-phenylenediamine,2,4-diaminonitrobenzene,1,3-benzenediamine, 4-nitro,4-nitro-1,3-benzenediamine,1,3-diamino-4-nitrobenzene,m-phenylenediamine, 4-nitro,3-amino-4-nitrophenylamine,4-nitro-1,3-fenylendiamin,unii-0d5u5ew62z PubChem CID: 21208 IUPAC Name: 4-nitrobenzene-1,3-diamine SMILES: NC1=CC=C(C(N)=C1)[N+]([O-])=O
PubChem CID | 21208 |
---|---|
CAS | 5131-58-8 |
Molecular Weight (g/mol) | 153.14 |
MDL Number | MFCD00025289 |
SMILES | NC1=CC=C(C(N)=C1)[N+]([O-])=O |
Synonym | 4-nitro-m-phenylenediamine,4-nitro-1,3-phenylenediamine,2,4-diaminonitrobenzene,1,3-benzenediamine, 4-nitro,4-nitro-1,3-benzenediamine,1,3-diamino-4-nitrobenzene,m-phenylenediamine, 4-nitro,3-amino-4-nitrophenylamine,4-nitro-1,3-fenylendiamin,unii-0d5u5ew62z |
IUPAC Name | 4-nitrobenzene-1,3-diamine |
InChI Key | DPIZKMGPXNXSGL-UHFFFAOYSA-N |
Molecular Formula | C6H7N3O2 |
2-Fluoro-5-nitroaniline 99.0+%, TCI America™
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CAS: 369-36-8 Molecular Formula: C6H5FN2O2 Molecular Weight (g/mol): 156.116 MDL Number: MFCD00007652 InChI Key: KJVBJICWGQIMOZ-UHFFFAOYSA-N Synonym: benzenamine, 2-fluoro-5-nitro,2-fluoro-5-nitrophenylamine,2-fluoro-5-nitro-phenylamine,1-amino-2-fluoro-5-nitrobenzene,2-fluoro-5-nitrobenzenamine,2-fluoro-5-nitro aniline,3-amino-4-fluoronitrobenzene,pubchem8504,acmc-1crtl,5-nitro-2-fluoroaniline PubChem CID: 67785 IUPAC Name: 2-fluoro-5-nitroaniline SMILES: C1=CC(=C(C=C1[N+](=O)[O-])N)F
PubChem CID | 67785 |
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CAS | 369-36-8 |
Molecular Weight (g/mol) | 156.116 |
MDL Number | MFCD00007652 |
SMILES | C1=CC(=C(C=C1[N+](=O)[O-])N)F |
Synonym | benzenamine, 2-fluoro-5-nitro,2-fluoro-5-nitrophenylamine,2-fluoro-5-nitro-phenylamine,1-amino-2-fluoro-5-nitrobenzene,2-fluoro-5-nitrobenzenamine,2-fluoro-5-nitro aniline,3-amino-4-fluoronitrobenzene,pubchem8504,acmc-1crtl,5-nitro-2-fluoroaniline |
IUPAC Name | 2-fluoro-5-nitroaniline |
InChI Key | KJVBJICWGQIMOZ-UHFFFAOYSA-N |
Molecular Formula | C6H5FN2O2 |
4-Fluoro-2-nitroaniline 98.0+%, TCI America™
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CAS: 364-78-3 Molecular Formula: C6H5FN2O2 Molecular Weight (g/mol): 156.12 MDL Number: MFCD00007830 InChI Key: PUGDHSSOXPHLPT-UHFFFAOYSA-N Synonym: 2-nitro-4-fluoroaniline,4-fluoro-2-nitrophenylamine,4-fluoro-2-nitrobenzeneamine,4-fluoro-2-nitrobenzenamine,benzenamine, 4-fluoro-2-nitro,2-amino-5-fluoronitrobenzene,4-fluoro-2-nitro-aniline,4-fluoro-2-nitro-phenylamine,4-fluor-2-nitroanilin,pubchem3421 PubChem CID: 67769 IUPAC Name: 4-fluoro-2-nitroaniline SMILES: NC1=CC=C(F)C=C1[N+]([O-])=O
PubChem CID | 67769 |
---|---|
CAS | 364-78-3 |
Molecular Weight (g/mol) | 156.12 |
MDL Number | MFCD00007830 |
SMILES | NC1=CC=C(F)C=C1[N+]([O-])=O |
Synonym | 2-nitro-4-fluoroaniline,4-fluoro-2-nitrophenylamine,4-fluoro-2-nitrobenzeneamine,4-fluoro-2-nitrobenzenamine,benzenamine, 4-fluoro-2-nitro,2-amino-5-fluoronitrobenzene,4-fluoro-2-nitro-aniline,4-fluoro-2-nitro-phenylamine,4-fluor-2-nitroanilin,pubchem3421 |
IUPAC Name | 4-fluoro-2-nitroaniline |
InChI Key | PUGDHSSOXPHLPT-UHFFFAOYSA-N |
Molecular Formula | C6H5FN2O2 |
4-Amino-3-nitrobenzonitrile 98.0+%, TCI America™
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CAS: 6393-40-4 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.14 MDL Number: MFCD00013373 InChI Key: JAHADAZIDZMHOP-UHFFFAOYSA-N Synonym: 3-nitro-4-aminobenzonitrile,4-cyano-2-nitroaniline,benzonitrile, 4-amino-3-nitro,4-amino-3-nitro-benzonitrile,2-nitro-4-cyanoaniline,4-amino-3-nitrobenzenecarbonitrile,zlchem 228,pubchem4669,4-ammo-3-nitrobenzonitrile PubChem CID: 595901 IUPAC Name: 4-amino-3-nitrobenzonitrile SMILES: NC1=CC=C(C=C1[N+]([O-])=O)C#N
PubChem CID | 595901 |
---|---|
CAS | 6393-40-4 |
Molecular Weight (g/mol) | 163.14 |
MDL Number | MFCD00013373 |
SMILES | NC1=CC=C(C=C1[N+]([O-])=O)C#N |
Synonym | 3-nitro-4-aminobenzonitrile,4-cyano-2-nitroaniline,benzonitrile, 4-amino-3-nitro,4-amino-3-nitro-benzonitrile,2-nitro-4-cyanoaniline,4-amino-3-nitrobenzenecarbonitrile,zlchem 228,pubchem4669,4-ammo-3-nitrobenzonitrile |
IUPAC Name | 4-amino-3-nitrobenzonitrile |
InChI Key | JAHADAZIDZMHOP-UHFFFAOYSA-N |
Molecular Formula | C7H5N3O2 |
Antimony(III) isopropoxide, 99.9% (metals basis), Thermo Scientific Chemicals
CAS: 18770-47-3 Molecular Formula: C9H21O3Sb Molecular Weight (g/mol): 299.024 MDL Number: MFCD00143623 InChI Key: HYPTXUAFIRUIRD-UHFFFAOYSA-N Synonym: antimony iii isopropoxide,antimony 3+ tripropan-2-olate,triisopropoxyantimony,acmc-209epx,antimony iii propan-2-olate,antimony 3+ ; propan-2-olate,2-propanol,antimony 3+ salt 9ci,antimony 3+ ion tris propan-2-olate,antimony 3+ tris propan-2-olate PubChem CID: 3034303 IUPAC Name: antimony(3+);propan-2-olate SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].[Sb+3]
PubChem CID | 3034303 |
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CAS | 18770-47-3 |
Molecular Weight (g/mol) | 299.024 |
MDL Number | MFCD00143623 |
SMILES | CC(C)[O-].CC(C)[O-].CC(C)[O-].[Sb+3] |
Synonym | antimony iii isopropoxide,antimony 3+ tripropan-2-olate,triisopropoxyantimony,acmc-209epx,antimony iii propan-2-olate,antimony 3+ ; propan-2-olate,2-propanol,antimony 3+ salt 9ci,antimony 3+ ion tris propan-2-olate,antimony 3+ tris propan-2-olate |
IUPAC Name | antimony(3+);propan-2-olate |
InChI Key | HYPTXUAFIRUIRD-UHFFFAOYSA-N |
Molecular Formula | C9H21O3Sb |
2,4-Difluoro-6-nitroaniline 98.0+%, TCI America™
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2-(4-Nitrophenyl)ethanol 98.0+%, TCI America™
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CAS: 100-27-6 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00010202 InChI Key: IKMXRUOZUUKSON-UHFFFAOYSA-N Synonym: 4-nitrophenethyl alcohol,2-4-nitrophenyl ethanol,4-nitrobenzeneethanol,2-p-nitrophenyl ethanol,benzeneethanol, 4-nitro,p-nitrophenethyl alcohol,2-4-nitrophenyl ethan-1-ol,phenethyl alcohol, p-nitro,ccris 6079,4-nitrophenethylalcohol PubChem CID: 7494 IUPAC Name: 2-(4-nitrophenyl)ethanol SMILES: C1=CC(=CC=C1CCO)[N+](=O)[O-]
PubChem CID | 7494 |
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CAS | 100-27-6 |
Molecular Weight (g/mol) | 167.164 |
MDL Number | MFCD00010202 |
SMILES | C1=CC(=CC=C1CCO)[N+](=O)[O-] |
Synonym | 4-nitrophenethyl alcohol,2-4-nitrophenyl ethanol,4-nitrobenzeneethanol,2-p-nitrophenyl ethanol,benzeneethanol, 4-nitro,p-nitrophenethyl alcohol,2-4-nitrophenyl ethan-1-ol,phenethyl alcohol, p-nitro,ccris 6079,4-nitrophenethylalcohol |
IUPAC Name | 2-(4-nitrophenyl)ethanol |
InChI Key | IKMXRUOZUUKSON-UHFFFAOYSA-N |
Molecular Formula | C8H9NO3 |
2-Chloro-5-nitroaniline, 98%, Thermo Scientific Chemicals
CAS: 6283-25-6 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.568 MDL Number: MFCD00007668 InChI Key: KWIXNFOTNVKIGM-UHFFFAOYSA-N Synonym: benzenamine, 2-chloro-5-nitro,6-chloro-3-nitroaniline,2-chloro-5-nitro aniline,aniline, 2-chloro-5-nitro,2-chloro-5-nitrobenzenamine,aniline, 6-chloro-3-nitro,2-chloro-5-nitrophenylamine,2-chloro-5-nitro-benzamine,pubchem21904,3-nitro-6-chloroaniline PubChem CID: 22691 IUPAC Name: 2-chloro-5-nitroaniline SMILES: C1=CC(=C(C=C1[N+](=O)[O-])N)Cl
PubChem CID | 22691 |
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CAS | 6283-25-6 |
Molecular Weight (g/mol) | 172.568 |
MDL Number | MFCD00007668 |
SMILES | C1=CC(=C(C=C1[N+](=O)[O-])N)Cl |
Synonym | benzenamine, 2-chloro-5-nitro,6-chloro-3-nitroaniline,2-chloro-5-nitro aniline,aniline, 2-chloro-5-nitro,2-chloro-5-nitrobenzenamine,aniline, 6-chloro-3-nitro,2-chloro-5-nitrophenylamine,2-chloro-5-nitro-benzamine,pubchem21904,3-nitro-6-chloroaniline |
IUPAC Name | 2-chloro-5-nitroaniline |
InChI Key | KWIXNFOTNVKIGM-UHFFFAOYSA-N |
Molecular Formula | C6H5ClN2O2 |
2-Amino-5-nitrobenzonitrile, 95%, Thermo Scientific Chemicals
CAS: 17420-30-3 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.136 MDL Number: MFCD00007362 InChI Key: MGCGMYPNXAFGFA-UHFFFAOYSA-N Synonym: 5-nitroanthranilonitrile,2-cyano-4-nitroaniline,benzonitrile, 2-amino-5-nitro,2-kyan-4-nitroanilin,unii-sez79wra1j,2-amino-5-nitro-benzonitrile,ccris 9092,2-kyan-4-nitroanilin czech,aniline, 2-cyano-4-nitro,sez79wra1j PubChem CID: 28532 IUPAC Name: 2-amino-5-nitrobenzonitrile SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C#N)N
PubChem CID | 28532 |
---|---|
CAS | 17420-30-3 |
Molecular Weight (g/mol) | 163.136 |
MDL Number | MFCD00007362 |
SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C#N)N |
Synonym | 5-nitroanthranilonitrile,2-cyano-4-nitroaniline,benzonitrile, 2-amino-5-nitro,2-kyan-4-nitroanilin,unii-sez79wra1j,2-amino-5-nitro-benzonitrile,ccris 9092,2-kyan-4-nitroanilin czech,aniline, 2-cyano-4-nitro,sez79wra1j |
IUPAC Name | 2-amino-5-nitrobenzonitrile |
InChI Key | MGCGMYPNXAFGFA-UHFFFAOYSA-N |
Molecular Formula | C7H5N3O2 |
3-Nitro-o-phenylenediamine, 98%, Thermo Scientific Chemicals
CAS: 3694-52-8 Molecular Formula: C6H7N3O2 Molecular Weight (g/mol): 153.141 MDL Number: MFCD00007722 InChI Key: IOCXBXZBNOYTLQ-UHFFFAOYSA-N Synonym: 3-nitro-1,2-phenylenediamine,3-nitro-o-phenylenediamine,1,2-diamino-3-nitrobenzene,3-nitrophenylenediamine,2-amino-6-nitroaniline,1,2-benzenediamine, 3-nitro,3-nitro-1,2-benzenediamine,o-phenylenediamine, 3-nitro,unii-wrz63l50zk,ccris 5427 PubChem CID: 4359525 IUPAC Name: 3-nitrobenzene-1,2-diamine SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])N)N
PubChem CID | 4359525 |
---|---|
CAS | 3694-52-8 |
Molecular Weight (g/mol) | 153.141 |
MDL Number | MFCD00007722 |
SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])N)N |
Synonym | 3-nitro-1,2-phenylenediamine,3-nitro-o-phenylenediamine,1,2-diamino-3-nitrobenzene,3-nitrophenylenediamine,2-amino-6-nitroaniline,1,2-benzenediamine, 3-nitro,3-nitro-1,2-benzenediamine,o-phenylenediamine, 3-nitro,unii-wrz63l50zk,ccris 5427 |
IUPAC Name | 3-nitrobenzene-1,2-diamine |
InChI Key | IOCXBXZBNOYTLQ-UHFFFAOYSA-N |
Molecular Formula | C6H7N3O2 |
4-Nitroaniline, ≥99.0% (HPLC), Honeywell™ Fluka™
CAS: 100-01-6 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD00007858 InChI Key: TYMLOMAKGOJONV-UHFFFAOYSA-N PubChem CID: 7475 ChEBI: CHEBI:17064 IUPAC Name: 4-nitroaniline SMILES: NC1=CC=C(C=C1)[N+]([O-])=O
PubChem CID | 7475 |
---|---|
CAS | 100-01-6 |
Molecular Weight (g/mol) | 138.13 |
ChEBI | CHEBI:17064 |
MDL Number | MFCD00007858 |
SMILES | NC1=CC=C(C=C1)[N+]([O-])=O |
IUPAC Name | 4-nitroaniline |
InChI Key | TYMLOMAKGOJONV-UHFFFAOYSA-N |
Molecular Formula | C6H6N2O2 |