CAS Registry Number 1737-36-6
Name:
Benzoic acid, 4-​chloro-​3-​(trifluoromethyl)​-
m-Toluic acid, 4-chloro-α,α,α-trifluoro- (7CI,8CI)
3-(Trifluoromethyl)-4-chlorobenzoic acid
4-Chloro-3-(trifluoromethyl)benzoic acid
4-Chloro-α,α,α-trifluoro-m-toluic acid

Chemical Formula: C8H4ClF3O2
Exact Mass: 223.99
Molecular Weight: 224.56
m/z: 223.99 (100.0%), 225.98 (32.0%), 224.99 (8.8%), 226.99 (2.8%)

InChI: InChI=1S/C8H4ClF3O2/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H,13,14)
InChIKey: PPHHAZOVVZBSCM-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1C(=O)O)C(F)(F)F)Cl

Specification

98%

1. (2) Buu-Hoi, P.; Compt. Rend. 1963, V257(21), P3182-4 CAPLUS