CAS Registry Number: 289039-84-5

Name:

Benzoic acid, 2-​amino-​5-​chloro-​3-​iodo-​, methyl ester
2-​Amino-​5-​chloro-​3-​iodobenzoic acid methyl ester; Methyl 2-​amino-​5-​chloro-​3-​iodobenzoate 

Chemical Formula: C8H7ClINO2
Exact Mass: 310.92
Molecular Weight: 311.50
m/z: 310.92 (100.0%), 312.92 (32.0%), 311.92 (9.0%), 313.92 (2.9%)
Elemental Analysis: C, 30.85; H, 2.27; Cl, 11.38; I, 40.74; N, 4.50; O, 10.27

InChI: InChI=1S/C8H7ClINO2/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3H,11H2,1H3
InChIKey: VTDNWMZYPVQPCN-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=CC(=C1N)I)Cl

Specification

98%

PCT Int. Appl. (2011), WO 2011008572 A2 20110120.

PCT Int. Appl. (2010), WO 2010146351 A1 20101223.