CAS Registry Number: 7697-32-7

Name:

Benzoic acid, 4-​bromo-​3,​5-​dimethyl-
4-​Bromo-​3,​5-​dimethylbenzoic acid 

Chemical Formula: C9H9BrO2
Exact Mass: 227.98
Molecular Weight: 229.07
m/z: 227.98 (100.0%), 229.98 (97.7%), 228.98 (9.9%), 230.98 (9.6%)

InChI: InChI=1S/C9H9BrO2/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3,(H,11,12)
InChIKey: OKEOADKQDIJJMU-UHFFFAOYSA-N
Canonical SMILES : CC1=CC(=CC(=C1Br)C)C(=O)O

Specification

98%

1. (1) Rinkes, I. J.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1939, V58, P538-43 CAPLUS