CAS Registry Number: 206548-14-3

Name:

Benzoic acid, 2-​amino-​5-​bromo-​3-​methyl-​, methyl ester
Methyl 2-​amino-​5-​bromo-​3-​methylbenzoate 

Chemical Formula: C9H10BrNO2
Exact Mass: 242.99
Molecular Weight: 244.09
m/z: 242.99 (100.0%), 244.99 (97.7%), 243.99 (10.2%), 245.99 (9.7%)
Elemental Analysis: C, 44.29; H, 4.13; Br, 32.74; N, 5.74; O, 13.11

InChI: InChI=1S/C9H10BrNO2/c1-5-3-6(10)4-7(8(5)11)9(12)13-2/h3-4H,11H2,1-2H3
InChIKey: NVJKMGDNYCDLGR-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C(=CC(=C1)Br)C(=O)OC)N

Specification

98%

1. (1) Meyer, Emmanuel A.; Helvetica Chimica Acta 2004, V87(6), P1333-1356 CAPLUS
2. (2) Dong, Weili; Chinese Journal of Chemistry 2009, V27(3), P579-586 CAPLUS