CAS Registry Number: 138825-96-4

Name:

Benzoic acid, 2-​(acetylamino)​-​5-​bromo-​, methyl ester
N-​[4-​Bromo-​2-​(methoxycarbonyl)​phenyl]​acetamide 

Chemical Formula: C10H10BrNO3
Exact Mass: 270.98
Molecular Weight: 272.10
m/z: 270.98 (100.0%), 272.98 (97.3%), 271.99 (11.0%), 273.99 (10.8%), 272.99 (1.2%), 274.99 (1.1%)
Elemental Analysis: C, 44.14; H, 3.70; Br, 29.37; N, 5.15; O, 17.64

InChI: InChI=1S/C10H10BrNO3/c1-6(13)12-9-4-3-7(11)5-8(9)10(14)15-2/h3-5H,1-2H3,(H,12,13)
InChIKey: CPARHIBNDSEJGR-UHFFFAOYSA-N
Canonical SMILES : CC(=O)NC1=C(C=C(C=C1)Br)C(=O)OC

Specification

98%

1. (1) Osadchii, S. A.; Russian Chemical Bulletin 2006, V55(6), P1077-1084 CAPLUS
2. (2) Ignatova, Svetlana; Journal of Chromatography A 2011, V1218(36), P6053-6060 CAPLUS