Organic zwitterions

Organic zwitterions
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3-Nitro-o-phenylenediamine, 98%
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 |
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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-Amino-3-nitrobenzonitrile, 98%
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 |
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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 |
2-Nitro-p-phenylenediamine, 95%
CAS: 5307-14-2 Molecular Formula: C6H7N3O2 Molecular Weight (g/mol): 153.141 MDL Number: MFCD00007903 InChI Key: HVHNMNGARPCGGD-UHFFFAOYSA-N Synonym: 2-nitro-1,4-phenylenediamine,1,4-diamino-2-nitrobenzene,2-nitro-p-phenylenediamine,2,5-diaminonitrobenzene,1,4-benzenediamine, 2-nitro,durafur brown,2-nitro-1,4-benzenediamine,o-nitro-p-phenylenediamine,4-amino-2-nitroaniline,fouramine 2r PubChem CID: 4338370 ChEBI: CHEBI:76394 IUPAC Name: 2-nitrobenzene-1,4-diamine SMILES: C1=CC(=C(C=C1N)[N+](=O)[O-])N
PubChem CID | 4338370 |
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CAS | 5307-14-2 |
Molecular Weight (g/mol) | 153.141 |
ChEBI | CHEBI:76394 |
MDL Number | MFCD00007903 |
SMILES | C1=CC(=C(C=C1N)[N+](=O)[O-])N |
Synonym | 2-nitro-1,4-phenylenediamine,1,4-diamino-2-nitrobenzene,2-nitro-p-phenylenediamine,2,5-diaminonitrobenzene,1,4-benzenediamine, 2-nitro,durafur brown,2-nitro-1,4-benzenediamine,o-nitro-p-phenylenediamine,4-amino-2-nitroaniline,fouramine 2r |
IUPAC Name | 2-nitrobenzene-1,4-diamine |
InChI Key | HVHNMNGARPCGGD-UHFFFAOYSA-N |
Molecular Formula | C6H7N3O2 |
Titanium(IV) isopropoxide, 95%
CAS: 546-68-9 Molecular Formula: C12H28O4Ti Molecular Weight (g/mol): 284.219 MDL Number: MFCD00008871 InChI Key: VXUYXOFXAQZZMF-UHFFFAOYSA-N Synonym: titanium tetraisopropanolate,titanium iv isopropoxide,tetraisopropyl orthotitanate,titanium isopropoxide,titanium tetraisopropylate,titanium isopropylate,ti isopropylate,tetraisopropoxytitanium iv,isopropyl orthotitanate,tetraisopropyl titanate PubChem CID: 11026 IUPAC Name: propan-2-olate;titanium(4+) SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]
PubChem CID | 11026 |
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CAS | 546-68-9 |
Molecular Weight (g/mol) | 284.219 |
MDL Number | MFCD00008871 |
SMILES | CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4] |
Synonym | titanium tetraisopropanolate,titanium iv isopropoxide,tetraisopropyl orthotitanate,titanium isopropoxide,titanium tetraisopropylate,titanium isopropylate,ti isopropylate,tetraisopropoxytitanium iv,isopropyl orthotitanate,tetraisopropyl titanate |
IUPAC Name | propan-2-olate;titanium(4+) |
InChI Key | VXUYXOFXAQZZMF-UHFFFAOYSA-N |
Molecular Formula | C12H28O4Ti |
Zinc tert-butoxide
CAS: 4278-43-7 Molecular Formula: C8H18O2Zn Molecular Weight (g/mol): 211.61 MDL Number: MFCD00145545 InChI Key: DVGVEVPHJQJMPP-UHFFFAOYSA-N Synonym: zinc tert-butoxide,di-tert-butoxyzinc,acmc-20aj87,zinc bis 2-methylpropan-2-olate,zinc 2+ bis 2-methylpropan-2-olate,zinc 2+ ion bis 2-methylpropan-2-olate PubChem CID: 14178434 IUPAC Name: zinc;2-methylpropan-2-olate SMILES: CC(C)(C)[O-].CC(C)(C)[O-].[Zn+2]
PubChem CID | 14178434 |
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CAS | 4278-43-7 |
Molecular Weight (g/mol) | 211.61 |
MDL Number | MFCD00145545 |
SMILES | CC(C)(C)[O-].CC(C)(C)[O-].[Zn+2] |
Synonym | zinc tert-butoxide,di-tert-butoxyzinc,acmc-20aj87,zinc bis 2-methylpropan-2-olate,zinc 2+ bis 2-methylpropan-2-olate,zinc 2+ ion bis 2-methylpropan-2-olate |
IUPAC Name | zinc;2-methylpropan-2-olate |
InChI Key | DVGVEVPHJQJMPP-UHFFFAOYSA-N |
Molecular Formula | C8H18O2Zn |
5-Chloro-4-fluoro-2-nitroaniline, 97%
CAS: 104222-34-6 Molecular Formula: C6H4ClFN2O2 Molecular Weight (g/mol): 190.558 MDL Number: MFCD00052698 InChI Key: VRJKEIWZSOHDOH-UHFFFAOYSA-N Synonym: 2-nitro-4-fluoro-5-chloroaniline,benzenamine, 5-chloro-4-fluoro-2-nitro,benzenamine,5-chloro-4-fluoro-2-nitro,5-chloro-4-fluoro-2-nitrophenylamine,pubchem8452,acmc-2098bg,timtec-bb sbb003647,buttpark 45\03-11,3-chloro-4-fluoro-6-nitroaniline,5-chloro-4-fluoro-2-nitro-aniline PubChem CID: 517835 IUPAC Name: 5-chloro-4-fluoro-2-nitroaniline SMILES: C1=C(C(=CC(=C1Cl)F)[N+](=O)[O-])N
PubChem CID | 517835 |
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CAS | 104222-34-6 |
Molecular Weight (g/mol) | 190.558 |
MDL Number | MFCD00052698 |
SMILES | C1=C(C(=CC(=C1Cl)F)[N+](=O)[O-])N |
Synonym | 2-nitro-4-fluoro-5-chloroaniline,benzenamine, 5-chloro-4-fluoro-2-nitro,benzenamine,5-chloro-4-fluoro-2-nitro,5-chloro-4-fluoro-2-nitrophenylamine,pubchem8452,acmc-2098bg,timtec-bb sbb003647,buttpark 45\03-11,3-chloro-4-fluoro-6-nitroaniline,5-chloro-4-fluoro-2-nitro-aniline |
IUPAC Name | 5-chloro-4-fluoro-2-nitroaniline |
InChI Key | VRJKEIWZSOHDOH-UHFFFAOYSA-N |
Molecular Formula | C6H4ClFN2O2 |
2-Nitroethanol, tech. 80%
CAS: 625-48-9 Molecular Formula: C2H5NO3 Molecular Weight (g/mol): 91.066 MDL Number: MFCD00007405 InChI Key: KIPMDPDAFINLIV-UHFFFAOYSA-N Synonym: ethanol, 2-nitro,2-nitroethan-1-ol,beta-nitroalcohol,beta-nitroethanol,2-nitro-ethanol,.beta.-nitroethanol,ccris 6076,2 nitroethanol,pubchem14208,2-nitroethanol PubChem CID: 12252 IUPAC Name: 2-nitroethanol SMILES: C(CO)[N+](=O)[O-]
PubChem CID | 12252 |
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CAS | 625-48-9 |
Molecular Weight (g/mol) | 91.066 |
MDL Number | MFCD00007405 |
SMILES | C(CO)[N+](=O)[O-] |
Synonym | ethanol, 2-nitro,2-nitroethan-1-ol,beta-nitroalcohol,beta-nitroethanol,2-nitro-ethanol,.beta.-nitroethanol,ccris 6076,2 nitroethanol,pubchem14208,2-nitroethanol |
IUPAC Name | 2-nitroethanol |
InChI Key | KIPMDPDAFINLIV-UHFFFAOYSA-N |
Molecular Formula | C2H5NO3 |
2-Chloro-4-nitroaniline, 98+%
CAS: 121-87-9 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.568 MDL Number: MFCD00007665 InChI Key: LOCWBQIWHWIRGN-UHFFFAOYSA-N Synonym: ocpna,2-chloro-4-nitrobenzenamine,o-chloro-p-nitroaniline,4-nitro-2-chloroaniline,benzenamine, 2-chloro-4-nitro,1-amino-2-chloro-4-nitrobenzene,aniline, 2-chloro-4-nitro,unii-xsa3zx337b,2-chloro-4-nitro-phenylamine,ortho-chloro-para-nitroaniline PubChem CID: 8492 IUPAC Name: 2-chloro-4-nitroaniline SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)N
PubChem CID | 8492 |
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CAS | 121-87-9 |
Molecular Weight (g/mol) | 172.568 |
MDL Number | MFCD00007665 |
SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)N |
Synonym | ocpna,2-chloro-4-nitrobenzenamine,o-chloro-p-nitroaniline,4-nitro-2-chloroaniline,benzenamine, 2-chloro-4-nitro,1-amino-2-chloro-4-nitrobenzene,aniline, 2-chloro-4-nitro,unii-xsa3zx337b,2-chloro-4-nitro-phenylamine,ortho-chloro-para-nitroaniline |
IUPAC Name | 2-chloro-4-nitroaniline |
InChI Key | LOCWBQIWHWIRGN-UHFFFAOYSA-N |
Molecular Formula | C6H5ClN2O2 |
Zirconium(IV) n-propoxide, 70% w/w in n-propanol, packaged under Argon in resealable ChemSealâ„¢ bottles, Thermo Scientific Chemicals
CAS: 23519-77-9 Molecular Formula: C12H28O4Zr Molecular Weight (g/mol): 327.58 MDL Number: MFCD00015307 InChI Key: XPGAWFIWCWKDDL-UHFFFAOYSA-N Synonym: zirconium iv tetrapropoxide,zirconium iv propoxide,unii-a7z4n4e80x,1-propanol, zirconium 4+ salt,zirconium propoxide,zirconium n-propoxide,1-propanol, zirconium 4+ salt 4:1,zirconium iv propoxide solution,zirconium tetrapropanolate,propyl alcohol, zirconium 4+ salt PubChem CID: 90139 IUPAC Name: propan-1-olate;zirconium(4+) SMILES: CCCO[Zr](OCCC)(OCCC)OCCC
PubChem CID | 90139 |
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CAS | 23519-77-9 |
Molecular Weight (g/mol) | 327.58 |
MDL Number | MFCD00015307 |
SMILES | CCCO[Zr](OCCC)(OCCC)OCCC |
Synonym | zirconium iv tetrapropoxide,zirconium iv propoxide,unii-a7z4n4e80x,1-propanol, zirconium 4+ salt,zirconium propoxide,zirconium n-propoxide,1-propanol, zirconium 4+ salt 4:1,zirconium iv propoxide solution,zirconium tetrapropanolate,propyl alcohol, zirconium 4+ salt |
IUPAC Name | propan-1-olate;zirconium(4+) |
InChI Key | XPGAWFIWCWKDDL-UHFFFAOYSA-N |
Molecular Formula | C12H28O4Zr |
Iron(III) isopropoxide, 98%
CAS: 14995-22-3 Molecular Formula: C9H21FeO3 Molecular Weight (g/mol): 233.109 MDL Number: MFCD00070436 InChI Key: QUHDSMAREWXWFM-UHFFFAOYSA-N Synonym: iron 3+ ;propan-2-olate,iron iii i-propoxide,triisopropoxyiron iii,2-propanol, iron 3+ salt 9ci,iron 3+ ion tris propan-2-olate,iron 3+ tris propan-2-olate,iron iii i-propoxide 99.9+%-fe PubChem CID: 11961763 IUPAC Name: iron(3+);propan-2-olate SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].[Fe+3]
PubChem CID | 11961763 |
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CAS | 14995-22-3 |
Molecular Weight (g/mol) | 233.109 |
MDL Number | MFCD00070436 |
SMILES | CC(C)[O-].CC(C)[O-].CC(C)[O-].[Fe+3] |
Synonym | iron 3+ ;propan-2-olate,iron iii i-propoxide,triisopropoxyiron iii,2-propanol, iron 3+ salt 9ci,iron 3+ ion tris propan-2-olate,iron 3+ tris propan-2-olate,iron iii i-propoxide 99.9+%-fe |
IUPAC Name | iron(3+);propan-2-olate |
InChI Key | QUHDSMAREWXWFM-UHFFFAOYSA-N |
Molecular Formula | C9H21FeO3 |
4,5-Dichloro-2-nitroaniline, 98%, Thermo Scientific Chemicals
CAS: 6641-64-1 Molecular Formula: C6H4Cl2N2O2 Molecular Weight (g/mol): 207.01 MDL Number: MFCD00007770 InChI Key: FSGTULQLEVAYRS-UHFFFAOYSA-N Synonym: 3,4-dichloro-6-nitroaniline,benzenamine, 4,5-dichloro-2-nitro,unii-3i0g2adu1l,2-nitro-4,5-dichloroaniline,3i0g2adu1l,4,5-dichloro-2-nitro-aniline,4,5-dichloro-2-nitrobenzenamine,4,5-dichlor-2-nitroanilin,pubchem3466,acmc-1b6pu PubChem CID: 81149 IUPAC Name: 4,5-dichloro-2-nitroaniline SMILES: C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])N
PubChem CID | 81149 |
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CAS | 6641-64-1 |
Molecular Weight (g/mol) | 207.01 |
MDL Number | MFCD00007770 |
SMILES | C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])N |
Synonym | 3,4-dichloro-6-nitroaniline,benzenamine, 4,5-dichloro-2-nitro,unii-3i0g2adu1l,2-nitro-4,5-dichloroaniline,3i0g2adu1l,4,5-dichloro-2-nitro-aniline,4,5-dichloro-2-nitrobenzenamine,4,5-dichlor-2-nitroanilin,pubchem3466,acmc-1b6pu |
IUPAC Name | 4,5-dichloro-2-nitroaniline |
InChI Key | FSGTULQLEVAYRS-UHFFFAOYSA-N |
Molecular Formula | C6H4Cl2N2O2 |
4-Nitroaniline, 98%
CAS: 100-01-6 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD00007858 InChI Key: TYMLOMAKGOJONV-UHFFFAOYSA-N Synonym: p-nitroaniline,p-nitraniline,4-nitrobenzenamine,p-aminonitrobenzene,4-nitraniline,benzenamine, 4-nitro,p-nitrophenylamine,1-amino-4-nitrobenzene,aniline, p-nitro,developer p PubChem CID: 7475 ChEBI: CHEBI:17064 IUPAC Name: 4-nitroaniline SMILES: NC1=CC=C(C=C1)[N+]([O-])=O
PubChem CID | 7475 |
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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 |
Synonym | p-nitroaniline,p-nitraniline,4-nitrobenzenamine,p-aminonitrobenzene,4-nitraniline,benzenamine, 4-nitro,p-nitrophenylamine,1-amino-4-nitrobenzene,aniline, p-nitro,developer p |
IUPAC Name | 4-nitroaniline |
InChI Key | TYMLOMAKGOJONV-UHFFFAOYSA-N |
Molecular Formula | C6H6N2O2 |
5-Nitrobenzimidazole, 98+%
CAS: 94-52-0 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.14 MDL Number: MFCD00005604 InChI Key: XPAZGLFMMUODDK-UHFFFAOYSA-N Synonym: 5-nitrobenzimidazole,6-nitrobenzimidazole,5-nitro-1h-benzo d imidazole,5-nitro-1h-benzimidazole,1h-benzimidazole, 5-nitro,1h-benzimidazole, 6-nitro,6-nitro-benzimidazole,5 6-nitrobenzimidazole,benzimidazole, 5-nitro,benzimidazole, 6-nitro PubChem CID: 7195 IUPAC Name: 6-nitro-1H-benzimidazole SMILES: [O-][N+](=O)C1=CC=C2N=CNC2=C1
PubChem CID | 7195 |
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CAS | 94-52-0 |
Molecular Weight (g/mol) | 163.14 |
MDL Number | MFCD00005604 |
SMILES | [O-][N+](=O)C1=CC=C2N=CNC2=C1 |
Synonym | 5-nitrobenzimidazole,6-nitrobenzimidazole,5-nitro-1h-benzo d imidazole,5-nitro-1h-benzimidazole,1h-benzimidazole, 5-nitro,1h-benzimidazole, 6-nitro,6-nitro-benzimidazole,5 6-nitrobenzimidazole,benzimidazole, 5-nitro,benzimidazole, 6-nitro |
IUPAC Name | 6-nitro-1H-benzimidazole |
InChI Key | XPAZGLFMMUODDK-UHFFFAOYSA-N |
Molecular Formula | C7H5N3O2 |
2-Nitroaniline, 98%
CAS: 88-74-4 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.126 MDL Number: MFCD00007687 InChI Key: DPJCXCZTLWNFOH-UHFFFAOYSA-N Synonym: o-nitroaniline,benzenamine, 2-nitro,o-nitraniline,1-amino-2-nitrobenzene,2-nitrobenzenamine,aniline, o-nitro,devol orange b,orange grs salt,o-aminonitrobenzene,2-aminonitrobenzene PubChem CID: 6946 IUPAC Name: 2-nitroaniline SMILES: C1=CC=C(C(=C1)N)[N+](=O)[O-]
PubChem CID | 6946 |
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CAS | 88-74-4 |
Molecular Weight (g/mol) | 138.126 |
MDL Number | MFCD00007687 |
SMILES | C1=CC=C(C(=C1)N)[N+](=O)[O-] |
Synonym | o-nitroaniline,benzenamine, 2-nitro,o-nitraniline,1-amino-2-nitrobenzene,2-nitrobenzenamine,aniline, o-nitro,devol orange b,orange grs salt,o-aminonitrobenzene,2-aminonitrobenzene |
IUPAC Name | 2-nitroaniline |
InChI Key | DPJCXCZTLWNFOH-UHFFFAOYSA-N |
Molecular Formula | C6H6N2O2 |
4-Fluoro-2-nitroaniline, 98%
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 |
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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 |