CAS Registry Number: 35450-36-3

Name:

Benzoic acid, 2-​bromo-​5-​methoxy-​, methyl ester
m-​Anisic acid, 6-​bromo-​, methyl ester (6CI); 2-​Bromo-​5-​methoxybenzoic acid methyl ester; Methyl 2-​bromo-​5-​methoxybenzoate 

Chemical Formula: C9H9BrO3
Exact Mass: 243.97
Molecular Weight: 245.07
m/z: 243.97 (100.0%), 245.97 (97.3%), 244.98 (10.0%), 246.97 (9.5%), 245.98 (1.1%), 247.98 (1.0%)
Elemental Analysis: C, 44.11; H, 3.70; Br, 32.60; O, 19.59

InChI: InChI=1S/C9H9BrO3/c1-12-6-3-4-8(10)7(5-6)9(11)13-2/h3-5H,1-2H3
InChIKey: VRTQLDFCPNVQNT-UHFFFAOYSA-N
Canonical SMILES : COC1=CC(=C(C=C1)Br)C(=O)OC

Specification

98%

1. (1) Baxendale, Ian R.; Chemistry - A European Journal 2006, V12(16), P4407-4416 CAPLUS