Benzene and substituted derivatives
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2-(3,5-Difluorophenyl)acetonitrile, 97%, Thermo Scientific™
CAS: 122376-76-5 Molecular Formula: C8H5F2N Molecular Weight (g/mol): 153.132 MDL Number: MFCD00061278 InChI Key: OBMYMTSBABEPIB-UHFFFAOYSA-N Synonym: 3,5-difluorophenylacetonitrile,2-3,5-difluorophenyl acetonitrile,3,5-difluorobenzyl cyanide,3,5-difluorobenzylcyanide,benzeneacetonitrile, 3,5-difluoro,3,5-difluorophenyl acetonitrile,2-3,5-difluorophenyl ethanenitrile,pubchem1588,acmc-1bxc0 PubChem CID: 518565 IUPAC Name: 2-(3,5-difluorophenyl)acetonitrile SMILES: C1=C(C=C(C=C1F)F)CC#N
| PubChem CID | 518565 |
|---|---|
| CAS | 122376-76-5 |
| Molecular Weight (g/mol) | 153.132 |
| MDL Number | MFCD00061278 |
| SMILES | C1=C(C=C(C=C1F)F)CC#N |
| Synonym | 3,5-difluorophenylacetonitrile,2-3,5-difluorophenyl acetonitrile,3,5-difluorobenzyl cyanide,3,5-difluorobenzylcyanide,benzeneacetonitrile, 3,5-difluoro,3,5-difluorophenyl acetonitrile,2-3,5-difluorophenyl ethanenitrile,pubchem1588,acmc-1bxc0 |
| IUPAC Name | 2-(3,5-difluorophenyl)acetonitrile |
| InChI Key | OBMYMTSBABEPIB-UHFFFAOYSA-N |
| Molecular Formula | C8H5F2N |
Cetirizine Impurity Standard, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™
This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.
3,5-Bis(trifluoromethyl)phenylmagnesium bromide, 0.5M solution in THF, AcroSeal™
CAS: 112981-69-8 Molecular Formula: C8H3BrF6Mg Molecular Weight (g/mol): 317.31 MDL Number: MFCD07369723 InChI Key: FTKNONULORTDRS-UHFFFAOYSA-M Synonym: magnesium, 3,5-bis trifluoromethyl phenyl bromo,3,5-bis trifluoromethyl phenylmagnesiumbromide,3,5-bis trifluoromethyl phenylmagnesium bromide,3,5-bis trifluoromethyl phenylmagnesium bromide solution,acmc-20mhbp,ftknonulortdrs-uhfffaoysa-m,3,5-di trifluoromethyl phenylmagnesium bromide,grignard reagent PubChem CID: 11197896 IUPAC Name: magnesium;1,3-bis(trifluoromethyl)benzene-5-ide;bromide SMILES: FC(F)(F)C1=CC(=CC([Mg]Br)=C1)C(F)(F)F
| PubChem CID | 11197896 |
|---|---|
| CAS | 112981-69-8 |
| Molecular Weight (g/mol) | 317.31 |
| MDL Number | MFCD07369723 |
| SMILES | FC(F)(F)C1=CC(=CC([Mg]Br)=C1)C(F)(F)F |
| Synonym | magnesium, 3,5-bis trifluoromethyl phenyl bromo,3,5-bis trifluoromethyl phenylmagnesiumbromide,3,5-bis trifluoromethyl phenylmagnesium bromide,3,5-bis trifluoromethyl phenylmagnesium bromide solution,acmc-20mhbp,ftknonulortdrs-uhfffaoysa-m,3,5-di trifluoromethyl phenylmagnesium bromide,grignard reagent |
| IUPAC Name | magnesium;1,3-bis(trifluoromethyl)benzene-5-ide;bromide |
| InChI Key | FTKNONULORTDRS-UHFFFAOYSA-M |
| Molecular Formula | C8H3BrF6Mg |
4-Bromophenyl isocyanate, 99%
CAS: 2493-02-9 Molecular Formula: C7H4BrNO Molecular Weight (g/mol): 198.02 MDL Number: MFCD00002022 InChI Key: CZQIJQFTRGDODI-UHFFFAOYSA-N Synonym: 4-bromophenyl isocyanate,4-bromophenylisocyanate,p-bromophenyl isocyanate,benzene, 1-bromo-4-isocyanato,p-bromophenylisocyanate,p-bromocarbanil,p-bromophenyl carbonimide,isocyanic acid 4-bromophenyl ester,unii-mgr77m31zw,mgr77m31zw PubChem CID: 75609 IUPAC Name: 1-bromo-4-isocyanatobenzene SMILES: C1=CC(=CC=C1N=C=O)Br
| PubChem CID | 75609 |
|---|---|
| CAS | 2493-02-9 |
| Molecular Weight (g/mol) | 198.02 |
| MDL Number | MFCD00002022 |
| SMILES | C1=CC(=CC=C1N=C=O)Br |
| Synonym | 4-bromophenyl isocyanate,4-bromophenylisocyanate,p-bromophenyl isocyanate,benzene, 1-bromo-4-isocyanato,p-bromophenylisocyanate,p-bromocarbanil,p-bromophenyl carbonimide,isocyanic acid 4-bromophenyl ester,unii-mgr77m31zw,mgr77m31zw |
| IUPAC Name | 1-bromo-4-isocyanatobenzene |
| InChI Key | CZQIJQFTRGDODI-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO |
2-Bromo-4,5-difluorophenylacetic acid, 98%
CAS: 883502-07-6 Molecular Formula: C8H5BrF2O2 Molecular Weight (g/mol): 251.03 MDL Number: MFCD04973423 InChI Key: FQSLXVRCDYUESO-UHFFFAOYSA-N Synonym: 2-bromo-4,5-difluorophenylacetic acid,2-2-bromo-4,5-difluorophenyl acetic acid,2-bromo-4,5-difluorophenyl acetic acid,2-bromo-4,5-difluorophenylaceticacid,pubchem2702,acmc-209qsj,2-2-bromo-4,5-difluorophenyl aceticacid,benzeneacetic acid, 2-bromo-4,5-difluoro PubChem CID: 3732964 IUPAC Name: 2-(2-bromo-4,5-difluorophenyl)acetic acid SMILES: OC(=O)CC1=CC(F)=C(F)C=C1Br
| PubChem CID | 3732964 |
|---|---|
| CAS | 883502-07-6 |
| Molecular Weight (g/mol) | 251.03 |
| MDL Number | MFCD04973423 |
| SMILES | OC(=O)CC1=CC(F)=C(F)C=C1Br |
| Synonym | 2-bromo-4,5-difluorophenylacetic acid,2-2-bromo-4,5-difluorophenyl acetic acid,2-bromo-4,5-difluorophenyl acetic acid,2-bromo-4,5-difluorophenylaceticacid,pubchem2702,acmc-209qsj,2-2-bromo-4,5-difluorophenyl aceticacid,benzeneacetic acid, 2-bromo-4,5-difluoro |
| IUPAC Name | 2-(2-bromo-4,5-difluorophenyl)acetic acid |
| InChI Key | FQSLXVRCDYUESO-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrF2O2 |
N-Boc-3,3-diphenyl-L-alanine, 95%
CAS: 138662-63-2 Molecular Formula: C20H23NO4 Molecular Weight (g/mol): 341.407 MDL Number: MFCD00191186 InChI Key: TYJDOLCFYZSNQC-KRWDZBQOSA-N Synonym: boc-l-3,3-diphenylalanine,boc-3,3-diphenyl-l-alanine,s-2-tert-butoxycarbonyl amino-3,3-diphenylpropanoic acid,s-n-boc-2-amino-3,3-diphenylpropionic acid,n-boc-beta-phenyl-l-phenylalanine,boc-beta-phenyl-phe-oh,n-tert-butoxycarbonyl-beta-phenyl-l-phenylalanine,s-2-tert-butoxycarbonylamino-3,3-diphenylpropanoic acid,2s-2-tert-butoxycarbonyl amino-3,3-diphenylpropanoic acid,pubchem20362 PubChem CID: 2761487 IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,3-diphenylpropanoic acid SMILES: CC(C)(C)OC(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)O
| PubChem CID | 2761487 |
|---|---|
| CAS | 138662-63-2 |
| Molecular Weight (g/mol) | 341.407 |
| MDL Number | MFCD00191186 |
| SMILES | CC(C)(C)OC(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)O |
| Synonym | boc-l-3,3-diphenylalanine,boc-3,3-diphenyl-l-alanine,s-2-tert-butoxycarbonyl amino-3,3-diphenylpropanoic acid,s-n-boc-2-amino-3,3-diphenylpropionic acid,n-boc-beta-phenyl-l-phenylalanine,boc-beta-phenyl-phe-oh,n-tert-butoxycarbonyl-beta-phenyl-l-phenylalanine,s-2-tert-butoxycarbonylamino-3,3-diphenylpropanoic acid,2s-2-tert-butoxycarbonyl amino-3,3-diphenylpropanoic acid,pubchem20362 |
| IUPAC Name | (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,3-diphenylpropanoic acid |
| InChI Key | TYJDOLCFYZSNQC-KRWDZBQOSA-N |
| Molecular Formula | C20H23NO4 |
2,6-Difluorobenzylmagnesium bromide, 0.25M in 2-MeTHF
CAS: 107549-26-8 Molecular Formula: C7H5BrF2Mg Molecular Weight (g/mol): 231.32 MDL Number: MFCD11113508 InChI Key: KEOOIBWMYNKEEF-UHFFFAOYSA-M Synonym: 2,6-difluorobenzylmagnesium bromide, 0.25m in 2-methf,2,6-difluorobenzylmagnesium bromide,grignard reagent PubChem CID: 73995681 IUPAC Name: bromo[(2,6-difluorophenyl)methyl]magnesium SMILES: FC1=CC=CC(F)=C1C[Mg]Br
| PubChem CID | 73995681 |
|---|---|
| CAS | 107549-26-8 |
| Molecular Weight (g/mol) | 231.32 |
| MDL Number | MFCD11113508 |
| SMILES | FC1=CC=CC(F)=C1C[Mg]Br |
| Synonym | 2,6-difluorobenzylmagnesium bromide, 0.25m in 2-methf,2,6-difluorobenzylmagnesium bromide,grignard reagent |
| IUPAC Name | bromo[(2,6-difluorophenyl)methyl]magnesium |
| InChI Key | KEOOIBWMYNKEEF-UHFFFAOYSA-M |
| Molecular Formula | C7H5BrF2Mg |
N-Isopropyl-4-methylbenzenesulfonamide, 97%
CAS: 21230-07-9 Molecular Formula: C10H15NO2S Molecular Weight (g/mol): 213.295 MDL Number: MFCD00543042 InChI Key: NXUHAAIJVABUMJ-UHFFFAOYSA-N Synonym: n-isopropyl-4-methylbenzenesulfonamide,4-methyl-n-propan-2-yl benzene-1-sulfonamide,n-isopropyl-p-toluenesulfonamide,4-methyl-n-propan-2-yl benzenesulfonamide,methylethyl 4-methylphenyl sulfonyl amine PubChem CID: 4329528 IUPAC Name: 4-methyl-N-propan-2-ylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(C)C
| PubChem CID | 4329528 |
|---|---|
| CAS | 21230-07-9 |
| Molecular Weight (g/mol) | 213.295 |
| MDL Number | MFCD00543042 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(C)C |
| Synonym | n-isopropyl-4-methylbenzenesulfonamide,4-methyl-n-propan-2-yl benzene-1-sulfonamide,n-isopropyl-p-toluenesulfonamide,4-methyl-n-propan-2-yl benzenesulfonamide,methylethyl 4-methylphenyl sulfonyl amine |
| IUPAC Name | 4-methyl-N-propan-2-ylbenzenesulfonamide |
| InChI Key | NXUHAAIJVABUMJ-UHFFFAOYSA-N |
| Molecular Formula | C10H15NO2S |
4-Methoxybenzenediazonium tetrafluoroborate, 98%
CAS: 459-64-3 Molecular Formula: C7H7BF4N2O Molecular Weight (g/mol): 221.95 MDL Number: MFCD00011897 InChI Key: CACFTKIREZJSIG-UHFFFAOYSA-J Synonym: 4-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzenediazoniumfluoroborate,4-methoxybenzene diazonium fluoroborate,acmc-1aeuk,ksc236e8f,4-methoxyphenyldiazonium tetrafluoroborate,p-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzene-1-diazonium; tetrafluoroboranuide PubChem CID: 517233 SMILES: [B+3].[F-].[F-].[F-].[F-].COC1=CC=C(C=C1)[N+]#N
| PubChem CID | 517233 |
|---|---|
| CAS | 459-64-3 |
| Molecular Weight (g/mol) | 221.95 |
| MDL Number | MFCD00011897 |
| SMILES | [B+3].[F-].[F-].[F-].[F-].COC1=CC=C(C=C1)[N+]#N |
| Synonym | 4-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzenediazoniumfluoroborate,4-methoxybenzene diazonium fluoroborate,acmc-1aeuk,ksc236e8f,4-methoxyphenyldiazonium tetrafluoroborate,p-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzene-1-diazonium; tetrafluoroboranuide |
| InChI Key | CACFTKIREZJSIG-UHFFFAOYSA-J |
| Molecular Formula | C7H7BF4N2O |
4-tert-Butylphenyl glycidyl ether, 95%
CAS: 3101-60-8 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00005136 InChI Key: HHRACYLRBOUBKM-UHFFFAOYSA-N Synonym: p-tert-butylphenyl glycidyl ether,4-tert-butylphenyl glycidyl ether,4-t-butylphenyl glycidyl ether,2-4-tert-butylphenoxy methyl oxirane,tert-butylphenol glycidyl ether,tert-butylphenyl glycidyl ether,t-butyl phenyl glycidyl ether,ccris 2638,oxirane, 4-1,1-dimethylethyl phenoxy methyl,2-4-tert-butyl phenoxy methyl oxirane PubChem CID: 18360 IUPAC Name: 2-[(4-tert-butylphenoxy)methyl]oxirane SMILES: CC(C)(C)C1=CC=C(C=C1)OCC2CO2
| PubChem CID | 18360 |
|---|---|
| CAS | 3101-60-8 |
| Molecular Weight (g/mol) | 206.285 |
| MDL Number | MFCD00005136 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCC2CO2 |
| Synonym | p-tert-butylphenyl glycidyl ether,4-tert-butylphenyl glycidyl ether,4-t-butylphenyl glycidyl ether,2-4-tert-butylphenoxy methyl oxirane,tert-butylphenol glycidyl ether,tert-butylphenyl glycidyl ether,t-butyl phenyl glycidyl ether,ccris 2638,oxirane, 4-1,1-dimethylethyl phenoxy methyl,2-4-tert-butyl phenoxy methyl oxirane |
| IUPAC Name | 2-[(4-tert-butylphenoxy)methyl]oxirane |
| InChI Key | HHRACYLRBOUBKM-UHFFFAOYSA-N |
| Molecular Formula | C13H18O2 |
Triphenyl borate, 97%
CAS: 1095-03-0 Molecular Formula: C18H15BO3 Molecular Weight (g/mol): 290.125 MDL Number: MFCD00059011 InChI Key: MDCWDBMBZLORER-UHFFFAOYSA-N Synonym: triphenoxyborane,phenyl borate,triphenoxyboron,boric acid, triphenyl ester,phenyl borate, pho 3 b,trifenylester kyseliny borite,boric acid h3bo3 , triphenyl ester,triphenyl ester boric acid,trifenylester kyseliny borite czech,boric acid triphenyl ester PubChem CID: 14182 IUPAC Name: triphenyl borate SMILES: B(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3
| PubChem CID | 14182 |
|---|---|
| CAS | 1095-03-0 |
| Molecular Weight (g/mol) | 290.125 |
| MDL Number | MFCD00059011 |
| SMILES | B(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3 |
| Synonym | triphenoxyborane,phenyl borate,triphenoxyboron,boric acid, triphenyl ester,phenyl borate, pho 3 b,trifenylester kyseliny borite,boric acid h3bo3 , triphenyl ester,triphenyl ester boric acid,trifenylester kyseliny borite czech,boric acid triphenyl ester |
| IUPAC Name | triphenyl borate |
| InChI Key | MDCWDBMBZLORER-UHFFFAOYSA-N |
| Molecular Formula | C18H15BO3 |
Methyl 4-fluoro-3-nitrobenzoate, 98%
CAS: 329-59-9 Molecular Formula: C8H6FNO4 Molecular Weight (g/mol): 199.14 MDL Number: MFCD00196161 InChI Key: CNJJSTPBUHAEFH-UHFFFAOYSA-N Synonym: methyl 4-fluoro-3-nitro-benzoate,4-fluoro-3-nitrobenzoic acid methyl ester,4-fluoro-3-nitro-benzoic acid methyl ester,benzoic acid, 4-fluoro-3-nitro-, methyl ester,pubchem2045,acmc-209hxf,methyl 4-fluoro-3 nitrobenzoate,4-carbomethoxy-2-nitrofluorobenzene,methyl4-fluoro-3-nitrobenzoate PubChem CID: 5219721 IUPAC Name: methyl 4-fluoro-3-nitrobenzoate SMILES: COC(=O)C1=CC(=C(F)C=C1)[N+]([O-])=O
| PubChem CID | 5219721 |
|---|---|
| CAS | 329-59-9 |
| Molecular Weight (g/mol) | 199.14 |
| MDL Number | MFCD00196161 |
| SMILES | COC(=O)C1=CC(=C(F)C=C1)[N+]([O-])=O |
| Synonym | methyl 4-fluoro-3-nitro-benzoate,4-fluoro-3-nitrobenzoic acid methyl ester,4-fluoro-3-nitro-benzoic acid methyl ester,benzoic acid, 4-fluoro-3-nitro-, methyl ester,pubchem2045,acmc-209hxf,methyl 4-fluoro-3 nitrobenzoate,4-carbomethoxy-2-nitrofluorobenzene,methyl4-fluoro-3-nitrobenzoate |
| IUPAC Name | methyl 4-fluoro-3-nitrobenzoate |
| InChI Key | CNJJSTPBUHAEFH-UHFFFAOYSA-N |
| Molecular Formula | C8H6FNO4 |
1-(p-Toluenesulfonyl)imidazole, 98+%
CAS: 2232-08-8 Molecular Formula: C10H10N2O2S Molecular Weight (g/mol): 222.26 MDL Number: MFCD00005285 InChI Key: YJYMYJRAQYREBT-UHFFFAOYSA-N Synonym: 1-p-toluenesulfonyl imidazole,1-tosyl-1h-imidazole,n-tosylimidazole,1-4-methylphenyl sulfonyl-1h-imidazole,1-tosylimidazole,1-p-toluenesulphonyl imidazole,1-p-tolylsulfonyl imidazole,1h-imidazole, 1-4-methylphenyl sulfonyl,1-toluene-p-sulphonyl imidazole,1-4-methylbenzenesulfonyl imidazole PubChem CID: 75219 IUPAC Name: 1-(4-methylphenyl)sulfonylimidazole SMILES: CC1=CC=C(C=C1)S(=O)(=O)N1C=CN=C1
| PubChem CID | 75219 |
|---|---|
| CAS | 2232-08-8 |
| Molecular Weight (g/mol) | 222.26 |
| MDL Number | MFCD00005285 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N1C=CN=C1 |
| Synonym | 1-p-toluenesulfonyl imidazole,1-tosyl-1h-imidazole,n-tosylimidazole,1-4-methylphenyl sulfonyl-1h-imidazole,1-tosylimidazole,1-p-toluenesulphonyl imidazole,1-p-tolylsulfonyl imidazole,1h-imidazole, 1-4-methylphenyl sulfonyl,1-toluene-p-sulphonyl imidazole,1-4-methylbenzenesulfonyl imidazole |
| IUPAC Name | 1-(4-methylphenyl)sulfonylimidazole |
| InChI Key | YJYMYJRAQYREBT-UHFFFAOYSA-N |
| Molecular Formula | C10H10N2O2S |
(3-Benzyloxypropyl)triphenylphosphonium bromide, 97+%
CAS: 54314-85-1 Molecular Formula: C28H28BrOP Molecular Weight (g/mol): 491.41 MDL Number: MFCD00191781 InChI Key: DWYCJWXMZGVGJV-UHFFFAOYSA-M Synonym: 3-benzyloxypropyl triphenylphosphonium bromide,3-benzyloxy propyl triphenylphosphonium bromide,3-benzyloxypropyl triphenylphosphoniumbromide,phosphonium, triphenyl 3-phenylmethoxy propyl-, bromide,phosphonium,triphenyl 3-phenylmethoxy propyl-, bromide 1:1,acmc-1asqr,c28h28op.br,3-benzyloxypropyltriphenylphosphonium bromide,3-benzyloxypropyl triphenyl phosphonium bromide,3-benzyloxypropyl triphenyl-phosphonium bromide PubChem CID: 10929077 IUPAC Name: triphenyl(3-phenylmethoxypropyl)phosphanium;bromide SMILES: [Br-].C(COCC1=CC=CC=C1)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 10929077 |
|---|---|
| CAS | 54314-85-1 |
| Molecular Weight (g/mol) | 491.41 |
| MDL Number | MFCD00191781 |
| SMILES | [Br-].C(COCC1=CC=CC=C1)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 3-benzyloxypropyl triphenylphosphonium bromide,3-benzyloxy propyl triphenylphosphonium bromide,3-benzyloxypropyl triphenylphosphoniumbromide,phosphonium, triphenyl 3-phenylmethoxy propyl-, bromide,phosphonium,triphenyl 3-phenylmethoxy propyl-, bromide 1:1,acmc-1asqr,c28h28op.br,3-benzyloxypropyltriphenylphosphonium bromide,3-benzyloxypropyl triphenyl phosphonium bromide,3-benzyloxypropyl triphenyl-phosphonium bromide |
| IUPAC Name | triphenyl(3-phenylmethoxypropyl)phosphanium;bromide |
| InChI Key | DWYCJWXMZGVGJV-UHFFFAOYSA-M |
| Molecular Formula | C28H28BrOP |
4-(p-Carboxyphenyl)-1,2,4-triazole, 97%, Thermo Scientific™
CAS: 157069-48-2 Molecular Formula: C9H7N3O2 Molecular Weight (g/mol): 189.17 InChI Key: QCNDLFQKKMPZKH-UHFFFAOYSA-N Synonym: 4-4h-1,2,4-triazol-4-yl benzoic acid,4-1,2,4-triazol-4-yl benzoic acid,4-1,2,4 triazol-4-yl-benzoic acid,benzoic acid, 4-4h-1,2,4-triazol-4-yl,4-4-carboxyphenyl-1,2,4-triazole,4-4-carboxyphenyl-4h-1,2,4-triazole,4-4h-1,2,4-triazol-4-yl-benzoic acid PubChem CID: 3163581 IUPAC Name: 4-(1,2,4-triazol-4-yl)benzoic acid SMILES: C1=CC(=CC=C1C(=O)O)N2C=NN=C2
| PubChem CID | 3163581 |
|---|---|
| CAS | 157069-48-2 |
| Molecular Weight (g/mol) | 189.17 |
| SMILES | C1=CC(=CC=C1C(=O)O)N2C=NN=C2 |
| Synonym | 4-4h-1,2,4-triazol-4-yl benzoic acid,4-1,2,4-triazol-4-yl benzoic acid,4-1,2,4 triazol-4-yl-benzoic acid,benzoic acid, 4-4h-1,2,4-triazol-4-yl,4-4-carboxyphenyl-1,2,4-triazole,4-4-carboxyphenyl-4h-1,2,4-triazole,4-4h-1,2,4-triazol-4-yl-benzoic acid |
| IUPAC Name | 4-(1,2,4-triazol-4-yl)benzoic acid |
| InChI Key | QCNDLFQKKMPZKH-UHFFFAOYSA-N |
| Molecular Formula | C9H7N3O2 |