CAS Registry Number: 100487-82-9

Name:

Benzeneacetic acid, 4-​bromo-​2-​nitro-​, methyl ester
(4-​Bromo-​2-​nitrophenyl)​acetic acid methyl ester; 2-​(4-​Bromo-​2-​nitrophenyl)​acetic acid methyl ester; Methyl (4-​bromo-​2-​nitrophenyl)​acetate; Methyl 2-​(4-​bromo-​2-​nitrophenyl)​acetate 

Chemical Formula: C9H8BrNO4
Exact Mass: 272.96
Molecular Weight: 274.07
m/z: 272.96 (100.0%), 274.96 (97.3%), 273.97 (10.0%), 275.96 (9.8%), 274.97 (1.3%), 276.97 (1.2%)
Elemental Analysis: C, 39.44; H, 2.94; Br, 29.15; N, 5.11; O, 23.35

InChI: InChI=1S/C9H8BrNO4/c1-15-9(12)4-6-2-3-7(10)5-8(6)11(13)14/h2-3,5H,4H2,1H3
InChIKey: KHXUTOLCCFWPDH-UHFFFAOYSA-N
Canonical SMILES : COC(=O)CC1=C(C=C(C=C1)Br)[N+](=O)[O-]

Specification

98%

PCT Int. Appl. (2013), WO 2013131609 A1 20130912.

PCT Int. Appl. (2012), WO 2012020738 A1 20120216.