CAS Registry Number: 77820-58-7

Name:

Benzoic acid, 2-​amino-​3-​chloro-​, methyl ester
2-​Amino-​3-​chlorobenzoic acid methyl ester; 3-​Chloroanthranilic acid methyl ester; Methyl 2-​amino-​3-​chlorobenzoate; Methyl 3-​chloroanthranilate 

Chemical Formula: C8H8ClNO2
Exact Mass: 185.02
Molecular Weight: 185.61
m/z: 185.02 (100.0%), 187.02 (32.0%), 186.03 (8.8%), 188.02 (2.9%)
Elemental Analysis: C, 51.77; H, 4.34; Cl, 19.10; N, 7.55; O, 17.24

InChI: InChI=1S/C8H8ClNO2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,10H2,1H3
InChIKey: MSXSZFYRADEEJA-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C(=CC=C1)Cl)N

Specification

98%

(1) Arisawa, Mitsuhiro; Journal of Organic Chemistry 2006, V71(11), P4255-4261 CAPLUS