CAS Registry Number: 78016-98-5

Name:

1H-​Imidazole-​5-​carboxylic acid, 2-​(trifluoromethyl)​-
1H-​Imidazole-​4-​carboxylic acid, 2-​(trifluoromethyl)​- (9CI); 2-​Trifluoromethylimida​zole-​4-​carboxylic acid 

Chemical Formula: C5H3F3N2O2
Exact Mass: 180.01
Molecular Weight: 180.08
m/z: 180.01 (100.0%), 181.02 (5.5%)

InChI: InChI=1S/C5H3F3N2O2/c6-5(7,8)4-9-1-2(10-4)3(11)12/h1H,(H,9,10)(H,11,12)
InChIKey: DQPSZGHYQKCZEY-UHFFFAOYSA-N
Canonical SMILES : C1=C(NC(=N1)C(F)(F)F)C(=O)O

Specification

98%

1. (1) Owen, D.; Journal of Fluorine Chemistry 1981, V17(2), P179-86 CAPLUS