CAS Registry Number: 106896-49-5

Name:

Benzoic acid, 4-​amino-​3-​bromo-​, methyl ester
2-​Bromo-​4-​methoxycarbonylanili​ne; 4-​Amino-​3-​bromobenzoic acid methyl ester; Methyl 4-​amino-​3-​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)5-2-3-7(10)6(9)4-5/h2-4H,10H2,1H3
InChIKey: AIUWAOALZYWQBX-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=C(C=C1)N)Br

Specification

98%

(1) Sun, Ying; European Journal of Medicinal Chemistry 2011, V46(7), P2930-2936 CAPLUS
(2) Knepper, Kerstin; European Journal of Organic Chemistry 2006, (8), P1886-1898 CAPLUS