CAS Registry Number: 91076-93-6

Name:

2-​Thiophenecarboxylic acid, 3-​amino-​5-​(4-​chlorophenyl)​-​, methyl ester
3-​Amino-​5-​(4-​chlorophenyl)​thiophene-​2-​carboxylic acid methyl ester; Methyl 3-​amino-​5-​(4-​chlorophenyl)​thiophene-​2-​carboxylate 

Chemical Formula: C12H10ClNO2S
Exact Mass: 267.01
Molecular Weight: 267.73
m/z: 267.01 (100.0%), 269.01 (36.6%), 268.02 (13.2%), 270.01 (5.1%), 271.00 (1.4%), 269.02 (1.2%), 268.01 (1.2%)
Elemental Analysis: C, 53.83; H, 3.76; Cl, 13.24; N, 5.23; O, 11.95; S, 11.98

InChI: InChI=1S/C12H10ClNO2S/c1-16-12(15)11-9(14)6-10(17-11)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3
InChIKey: MELGGDOYSMRBGA-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)N

Specification

98%

PCT Int. Appl. (2012), WO 2012153154 A1 20121115. 

PCT Int. Appl. (2009), WO 2009146365 A1 20091203.