CAS Registry Number: 135484-83-2

Name:

Benzoic acid, 2-​amino-​4-​bromo-​, methyl ester
2-​Amino-​4-​bromobenzoic acid methyl ester; Methyl 2-​amino-​4-​bromobenzoate 

Chemical Formula: C8H8BrNO2
Exact Mass: 228.97
Molecular Weight: 230.06
m/z: 228.97 (100.0%), 230.97 (97.3%), 229.98 (8.8%), 231.98 (8.6%)
Elemental Analysis: C, 41.77; H, 3.50; Br, 34.73; N, 6.09; O, 13.91

InChI: InChI=1S/C8H8BrNO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,10H2,1H3
InChIKey: MMSODGJNFCCKAZ-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=C(C=C1)Br)N

Specification

98%

1. (1) Robertson, Alexander; Journal of the Chemical Society 1931, P72-6 CAPLUS
2. (2) Allison, Brett D.; Journal of Medicinal Chemistry 2006, V49(21), P6371-6390 CAPLUS