CAS Registry Number: 66191-86-4

Name:

Benzenepropanoic acid, 2-​bromo-​, methyl ester
2-​Bromobenzenepropanoi​c acid methyl ester; 3-​(2-​Bromophenyl)​propionic acid methyl ester; Methyl 2-​bromobenzenepropanoa​te; Methyl 3-​(2-​bromophenyl)​propanoate; Methyl 3-​(2-​bromophenyl)​propionate 

Chemical Formula: C10H11BrO2
Exact Mass: 241.99
Molecular Weight: 243.10
m/z: 241.99 (100.0%), 243.99 (97.3%), 243.00 (11.0%), 245.00 (10.8%)
Elemental Analysis: C, 49.41; H, 4.56; Br, 32.87; O, 13.16

InChI: InChI=1S/C10H11BrO2/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3
InChIKey: NIULOVGPRAJIJM-UHFFFAOYSA-N
Canonical SMILES : COC(=O)CCC1=CC=CC=C1Br

Specification

98%

1. (1) Mennen, Steven M.; Journal of Organic Chemistry 2007, V72(14), P5260-5269 CAPLUS
2. (2) Vieira, Tiago O.; Organic Letters 2006, V8(26), P6143-6145 CAPLUS
3. (3) Jordan, Alfonzo D.; Medicinal Chemistry 2005, V1(6), P601-610 CAPLUS