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CAS Number: 17616-04-5
4-(1H-imidazol-1-yl)benzoic acid

Structure

 4-(1H-imidazol-1-yl)benzoic acid
Name: 4-(1H-imidazol-1-yl)benzoic acid
Synonyms:
General Information
Product Number: 17616045

CAS Registry Number 17616-04-5
Name:
Benzoic acid, 4-?(1H-?imidazol-?1-?yl)?-
Benzoic acid, p-imidazol-1-yl- (8CI)
4-(1H-Imidazol-1-yl)benzoic acid
1-(4-Carboxyphenyl)-1H-imidazole
4-(1-Imidazolyl)benzoic acid
4-(Imidazol-1-yl)benzoic acid

 

Chemical Formula: C10H8N2O2
Exact Mass: 188.06
Molecular Weight: 188.18
m/z: 188.06 (100.0%), 189.06 (11.7%)

 

InChI:InChI=1S/C10H8N2O2/c13-10(14)8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,(H,13,14)

InChI Key:LFIDZIWWYNTQOQ-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC=C1C(=O)O)N2C=CN=C2

Specification

98%
References
  1. (1) Zheng, Zheng; Acta Crystallographica, Section E: Structure Reports Online 2011, V67(2), Po524 CAPLUS
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