CAS Registry Number: 139102-34-4

Name:

Benzoic acid, 4-​bromo-​2-​methoxy-​, methyl ester
4-​Bromo-​2-​methoxybenzoic acid methyl ester; Methyl 4-​bromo-​2-​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/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,1-2H3
InChIKey: WPGAGRPPDYAZAD-UHFFFAOYSA-N
Canonical SMILES : COC1=C(C=CC(=C1)Br)C(=O)OC

Specification

98%

1. (1) Imanishi, Masashi; Journal of Medicinal Chemistry 2008, V51(6), P1925-1944 CAPLUS
2. (2) Gensini, Martina; ChemMedChem 2010, V5(1), P65-78 CAPLUS