CAS Registry Number: 99548-56-8

Name:

Benzoic acid, 2-​bromo-​6-​methyl-​, methyl ester
o-​Toluic acid, 6-​bromo-​, methyl ester (6CI); 2-​Bromo-​6-​methylbenzoic acid methyl ester; Methyl 2-​bromo-​6-​methylbenzoate 

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%)
Elemental Analysis: C, 47.19; H, 3.96; Br, 34.88; O, 13.97

InChI: InChI=1S/C9H9BrO2/c1-6-4-3-5-7(10)8(6)9(11)12-2/h3-5H,1-2H3
InChIKey: DDJSNWUTQDNGIZ-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C(=CC=C1)Br)C(=O)OC

Specification

98%

1. (1) Peltier, Daniel; Compt. rend. 1954, V237, P357 CAPLUS