CAS Registry Number: 154607-00-8

Name:

Benzoic acid, 2-​bromo-​5-​hydroxy-​, methyl ester
2-​Bromo-​5-​hydroxybenzoic acid methyl ester; Methyl 2-​bromo-​5-​hydroxybenzenecarbox​ylate; Methyl 2-​bromo-​5-​hydroxybenzoate 

Chemical Formula: C8H7BrO3
Exact Mass: 229.96
Molecular Weight: 231.04
m/z: 229.96 (100.0%), 231.96 (98.2%), 230.96 (8.8%), 232.96 (8.6%)
Elemental Analysis: C, 41.59; H, 3.05; Br, 34.58; O, 20.77

InChI: InChI=1S/C8H7BrO3/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4,10H,1H3
InChIKey: AIWIFVOBRBJANE-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=CC(=C1)O)Br

Specification

98%

PCT Int. Appl. (2014), WO 2014019685 A1 20140206.                                  

PCT Int. Appl. (2012), WO 2012109263 A1 20120816.