CAS Registry Number: 126541-87-5

Name:

Benzoic acid, 3-​hydroxy-​4-​(trifluoromethyl)​-
3-​Hydroxy-​4-​trifluoromethylbenzo​ic acid 

Chemical Formula: C8H5F3O3
Exact Mass: 206.02
Molecular Weight: 206.12
m/z: 206.02 (100.0%), 207.02 (8.8%)

InChI: InChI=1S/C8H5F3O3/c9-8(10,11)5-2-1-4(7(13)14)3-6(5)12/h1-3,12H,(H,13,14)
InChIKey: ZZSMIPAVTZJPHQ-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1C(=O)O)O)C(F)(F)F

Specification

98%

PCT Int. Appl. (2014), WO 2014102377 A1 20140703.

PCT Int. Appl. (2010), WO 2010126030 A1 20101104.