Organic zwitterions

Organic zwitterions
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Tantalum(V) ethoxide, 99.999% (metals basis), Nb <100ppm
CAS: 6074-84-6 Molecular Formula: C10H25O5Ta Molecular Weight (g/mol): 406.25 MDL Number: MFCD00049785 InChI Key: HSXKFDGTKKAEHL-UHFFFAOYSA-N Synonym: tantalum v ethoxide,tantalum 5+ ethanolate,tantalum ethoxide,tantalum 5+ pentaethanolate,ethanol, tantalum 5+ salt,pentaethoxytantalum v,ethanol, tantalum 5+ salt 5:1,tantalum ethylate,pentaethyl tantalate,tantalum pentaethoxide PubChem CID: 160806 IUPAC Name: ethanolate;tantalum(5+) SMILES: CCO[Ta](OCC)(OCC)(OCC)OCC
PubChem CID | 160806 |
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CAS | 6074-84-6 |
Molecular Weight (g/mol) | 406.25 |
MDL Number | MFCD00049785 |
SMILES | CCO[Ta](OCC)(OCC)(OCC)OCC |
Synonym | tantalum v ethoxide,tantalum 5+ ethanolate,tantalum ethoxide,tantalum 5+ pentaethanolate,ethanol, tantalum 5+ salt,pentaethoxytantalum v,ethanol, tantalum 5+ salt 5:1,tantalum ethylate,pentaethyl tantalate,tantalum pentaethoxide |
IUPAC Name | ethanolate;tantalum(5+) |
InChI Key | HSXKFDGTKKAEHL-UHFFFAOYSA-N |
Molecular Formula | C10H25O5Ta |
Iron(III) isopropoxide, 2.5% w/v in isopropanol
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 |
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 |
2-Fluoro-4-nitroaniline, 95%
CAS: 369-35-7 Molecular Formula: C6H5FN2O2 Molecular Weight (g/mol): 156.116 MDL Number: MFCD00034560 InChI Key: LETNCFZQCNCACQ-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrobenzenamine,2-fluoro-4-nitro-phenylamine,benzenamine, 2-fluoro-4-nitro,2-fluoro-4-nitrophenylamine,4-amino-3-fluoronitrobenzene,2-fluoro-4-nitroaniline,pubchem8503,acmc-1bncp,2-fluoro-4-niroaniline,2-fluoro-4-nitro-aniline PubChem CID: 101254 IUPAC Name: 2-fluoro-4-nitroaniline SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)N
PubChem CID | 101254 |
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CAS | 369-35-7 |
Molecular Weight (g/mol) | 156.116 |
MDL Number | MFCD00034560 |
SMILES | C1=CC(=C(C=C1[N+](=O)[O-])F)N |
Synonym | 2-fluoro-4-nitrobenzenamine,2-fluoro-4-nitro-phenylamine,benzenamine, 2-fluoro-4-nitro,2-fluoro-4-nitrophenylamine,4-amino-3-fluoronitrobenzene,2-fluoro-4-nitroaniline,pubchem8503,acmc-1bncp,2-fluoro-4-niroaniline,2-fluoro-4-nitro-aniline |
IUPAC Name | 2-fluoro-4-nitroaniline |
InChI Key | LETNCFZQCNCACQ-UHFFFAOYSA-N |
Molecular Formula | C6H5FN2O2 |
4,5-Difluoro-2-nitroaniline, 98%
CAS: 78056-39-0 Molecular Formula: C6H4F2N2O2 Molecular Weight (g/mol): 174.11 MDL Number: MFCD00010876 InChI Key: WDMCABATCGQAKK-UHFFFAOYSA-N Synonym: 3,4-difluoro-6-nitroaniline,benzenamine, 4,5-difluoro-2-nitro,4,5-difluoro-2-nitro-aniline,4,5-difluoro-2-nitrophenylamine,2-nitro-4,5-difluoroaniline,2-amino-4,5-difluoronitrobenzene,4,5-difluoro-2-nitro-phenylamine,4,5-difluoro-2-nitrobenzenamine,pubchem2121,acmc-209pdb PubChem CID: 157151 IUPAC Name: 4,5-difluoro-2-nitroaniline SMILES: NC1=CC(F)=C(F)C=C1[N+]([O-])=O
PubChem CID | 157151 |
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CAS | 78056-39-0 |
Molecular Weight (g/mol) | 174.11 |
MDL Number | MFCD00010876 |
SMILES | NC1=CC(F)=C(F)C=C1[N+]([O-])=O |
Synonym | 3,4-difluoro-6-nitroaniline,benzenamine, 4,5-difluoro-2-nitro,4,5-difluoro-2-nitro-aniline,4,5-difluoro-2-nitrophenylamine,2-nitro-4,5-difluoroaniline,2-amino-4,5-difluoronitrobenzene,4,5-difluoro-2-nitro-phenylamine,4,5-difluoro-2-nitrobenzenamine,pubchem2121,acmc-209pdb |
IUPAC Name | 4,5-difluoro-2-nitroaniline |
InChI Key | WDMCABATCGQAKK-UHFFFAOYSA-N |
Molecular Formula | C6H4F2N2O2 |
5-Fluoro-2-nitroaniline, 97%
CAS: 2369-11-1 Molecular Formula: C6H5FN2O2 Molecular Weight (g/mol): 156.12 MDL Number: MFCD00034065 InChI Key: PEDMFCHWOVJDNW-UHFFFAOYSA-N IUPAC Name: 5-fluoro-2-nitroaniline
CAS | 2369-11-1 |
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Molecular Weight (g/mol) | 156.12 |
MDL Number | MFCD00034065 |
IUPAC Name | 5-fluoro-2-nitroaniline |
InChI Key | PEDMFCHWOVJDNW-UHFFFAOYSA-N |
Molecular Formula | C6H5FN2O2 |
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 |
2-Methyl-2-nitro-1,3-propanediol, 97%
CAS: 77-49-6 Molecular Formula: C4H9NO4 Molecular Weight (g/mol): 135.12 MDL Number: MFCD00024812 InChI Key: LOTYADDQWWVBDJ-UHFFFAOYSA-N Synonym: 2-methyl-2-nitro-1,3-propanediol,nmpd,2-nitro-2-methyl-1,3-propanediol,nitroisobutylglycol,1,3-propanediol, 2-methyl-2-nitro,2-methyl-2-nitropropanediol,1,1-dimethylol-1-nitroethane,caswell no. 573n,epa pesticide chemical code 573900,acmc-1basy PubChem CID: 6480 IUPAC Name: 2-methyl-2-nitropropane-1,3-diol SMILES: CC(CO)(CO)[N+]([O-])=O
PubChem CID | 6480 |
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CAS | 77-49-6 |
Molecular Weight (g/mol) | 135.12 |
MDL Number | MFCD00024812 |
SMILES | CC(CO)(CO)[N+]([O-])=O |
Synonym | 2-methyl-2-nitro-1,3-propanediol,nmpd,2-nitro-2-methyl-1,3-propanediol,nitroisobutylglycol,1,3-propanediol, 2-methyl-2-nitro,2-methyl-2-nitropropanediol,1,1-dimethylol-1-nitroethane,caswell no. 573n,epa pesticide chemical code 573900,acmc-1basy |
IUPAC Name | 2-methyl-2-nitropropane-1,3-diol |
InChI Key | LOTYADDQWWVBDJ-UHFFFAOYSA-N |
Molecular Formula | C4H9NO4 |
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 |
4-Nitro-1H-pyrazole-3-carboxylic acid, 98%, Thermo Scientific Chemicals
CAS: 5334-40-7 Molecular Formula: C4H3N3O4 Molecular Weight (g/mol): 157.085 MDL Number: MFCD00090899 InChI Key: ZMAXXOYJWZZQBK-UHFFFAOYSA-N Synonym: 4-nitro-1h-pyrazole-3-carboxylic acid,4-nitropyrazole-3-carboxylic acid,4-nitro-3-pyrazolecarboxylic acid,4-nitro-1h-pyrazole-5-carboxylic acid,1h-pyrazole-3-carboxylic acid, 4-nitro,4-nitro-2h-pyrazole-3-carboxylic acid,4-nitro pyrazole-3-carboxylic acid,4-nitro-pyrazole-3-carboxylic acid,4-hydroxynitroso-1h-pyrazole-3-carboxylic acid,nitropyrazolecarboxylic PubChem CID: 219739 SMILES: C1=NNC(=C1[N+](=O)[O-])C(=O)O
PubChem CID | 219739 |
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CAS | 5334-40-7 |
Molecular Weight (g/mol) | 157.085 |
MDL Number | MFCD00090899 |
SMILES | C1=NNC(=C1[N+](=O)[O-])C(=O)O |
Synonym | 4-nitro-1h-pyrazole-3-carboxylic acid,4-nitropyrazole-3-carboxylic acid,4-nitro-3-pyrazolecarboxylic acid,4-nitro-1h-pyrazole-5-carboxylic acid,1h-pyrazole-3-carboxylic acid, 4-nitro,4-nitro-2h-pyrazole-3-carboxylic acid,4-nitro pyrazole-3-carboxylic acid,4-nitro-pyrazole-3-carboxylic acid,4-hydroxynitroso-1h-pyrazole-3-carboxylic acid,nitropyrazolecarboxylic |
InChI Key | ZMAXXOYJWZZQBK-UHFFFAOYSA-N |
Molecular Formula | C4H3N3O4 |
6-Nitro-2(3H)-benzoxazolone, 98%
CAS: 4694-91-1 Molecular Formula: C7H4N2O4 Molecular Weight (g/mol): 180.119 MDL Number: MFCD00463755 InChI Key: JGYJZHYTADCWIK-UHFFFAOYSA-N Synonym: 6-nitrobenzo d oxazol-2 3h-one,6-nitro-2-benzoxazolinone,2 3h-benzoxazolone, 6-nitro,6-nitrobenzoxazolinone,6-nitro benzoxazolinone,6-nitro-3h-benzooxazol-2-one,6-nitrobenzoxazol-2 3h-one,6-nitrobenzoxazolone,6-nitrobenzoxazole-2 3h-one,6-nitro-1,3-benzoxazol-2 3h-one PubChem CID: 78419 IUPAC Name: 6-nitro-3H-1,3-benzoxazol-2-one SMILES: C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2
PubChem CID | 78419 |
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CAS | 4694-91-1 |
Molecular Weight (g/mol) | 180.119 |
MDL Number | MFCD00463755 |
SMILES | C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2 |
Synonym | 6-nitrobenzo d oxazol-2 3h-one,6-nitro-2-benzoxazolinone,2 3h-benzoxazolone, 6-nitro,6-nitrobenzoxazolinone,6-nitro benzoxazolinone,6-nitro-3h-benzooxazol-2-one,6-nitrobenzoxazol-2 3h-one,6-nitrobenzoxazolone,6-nitrobenzoxazole-2 3h-one,6-nitro-1,3-benzoxazol-2 3h-one |
IUPAC Name | 6-nitro-3H-1,3-benzoxazol-2-one |
InChI Key | JGYJZHYTADCWIK-UHFFFAOYSA-N |
Molecular Formula | C7H4N2O4 |
3-(4-Nitrophenyl)-1H-pyrazole, 97%, Thermo Scientific Chemicals
CAS: 20583-31-7 Molecular Formula: C9H7N3O2 Molecular Weight (g/mol): 189.17 MDL Number: MFCD00665859 InChI Key: IPIYADCDDIUVPS-UHFFFAOYSA-N Synonym: 3-4-nitrophenyl-1h-pyrazole,3-4-nitrophenyl pyrazole,5-4-nitrophenyl-1h-pyrazole,3-4-nitro-phenyl-1h-pyrazole,5-4-nitrophenyl pyrazole,1h-pyrazole, 3-4-nitrophenyl,5-4-nitro-phenyl-1h-pyrazole,3-4-nitrophenyl-2h-pyrazole,nitrophenylpyrazole,p-nitrophenylpyrazole PubChem CID: 2737071 IUPAC Name: 5-(4-nitrophenyl)-1H-pyrazole SMILES: [O-][N+](=O)C1=CC=C(C=C1)C1=CC=NN1
PubChem CID | 2737071 |
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CAS | 20583-31-7 |
Molecular Weight (g/mol) | 189.17 |
MDL Number | MFCD00665859 |
SMILES | [O-][N+](=O)C1=CC=C(C=C1)C1=CC=NN1 |
Synonym | 3-4-nitrophenyl-1h-pyrazole,3-4-nitrophenyl pyrazole,5-4-nitrophenyl-1h-pyrazole,3-4-nitro-phenyl-1h-pyrazole,5-4-nitrophenyl pyrazole,1h-pyrazole, 3-4-nitrophenyl,5-4-nitro-phenyl-1h-pyrazole,3-4-nitrophenyl-2h-pyrazole,nitrophenylpyrazole,p-nitrophenylpyrazole |
IUPAC Name | 5-(4-nitrophenyl)-1H-pyrazole |
InChI Key | IPIYADCDDIUVPS-UHFFFAOYSA-N |
Molecular Formula | C9H7N3O2 |
3-Chloro-4-nitroaniline, 95%
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 |
2-(4-Nitrophenyl)ethanol, 98%
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 |