CAS Registry Number 654-98-8
Name:
Benzoic acid, 5-​chloro-​2-​(trifluoromethyl)​-
o-Toluic acid, 5-chloro-α,α,α-trifluoro- (7CI,8CI)
2-Trifluoromethyl-5-chlorobenzoic acid
5-Chloro-2-trifluoromethylbenzoic 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/c9-4-1-2-6(8(10,11)12)5(3-4)7(13)14/h1-3H,(H,13,14)
InChIKey: FWLFUSUVWNEKRN-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1Cl)C(=O)O)C(F)(F)F

Specification

98%

(1) Yagupol'skii, L. M.; Zhurnal Obshchei Khimii 1963, V33(7), P2358-64 CAPLUS