CAS Registry Number: 1003709-47-4

Name:

Benzoic acid, 2-​bromo-​4-​fluoro-​6-​methyl-
2-​Bromo-​4-​fluoro-​6-​methylbenzoic acid 

Chemical Formula: C8H6BrFO2
Exact Mass: 231.95
Molecular Weight: 233.03
m/z: 231.95 (100.0%), 233.95 (97.3%), 232.96 (8.8%), 234.95 (8.4%)
Elemental Analysis: C, 41.23; H, 2.60; Br, 34.29; F, 8.15; O, 13.73

InChI: InChI=1S/C8H6BrFO2/c1-4-2-5(10)3-6(9)7(4)8(11)12/h2-3H,1H3,(H,11,12)
InChIKey: VOFBSAUUUDKWGR-UHFFFAOYSA-N
Canonical SMILES : CC1=CC(=CC(=C1C(=O)O)Br)F

Specification

98%

PCT Int. Appl. (2014), WO 2014064149 A1 20140501.                                 

PCT Int. Appl. (2011), WO 2011006803 A1 20110120.