CAS Registry Number: 59812-34-9

Name:

Benzo[b]​thiophene-​2-​carboxylic acid, 3-​chloro-​6-​methyl-​, methyl ester
Methyl 3-​chloro-​6-​methylbenzothiophene​-​2-​carboxylate 

Chemical Formula: C11H9ClO2S
Exact Mass: 240.00
Molecular Weight: 240.71
m/z: 240.00 (100.0%), 242.00 (36.6%), 241.00 (12.7%), 243.00 (4.7%), 243.99 (1.4%), 242.01 (1.1%)
Elemental Analysis: C, 54.89; H, 3.77; Cl, 14.73; O, 13.29; S, 13.32

InChI: InChI=1S/C11H9ClO2S/c1-6-3-4-7-8(5-6)15-10(9(7)12)11(13)14-2/h3-5H,1-2H3
InChIKey: MGACFENQJJMRFI-UHFFFAOYSA-N
Canonical SMILES : CC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl

Specification

98%

1. (1) Higa, Tatsuo; Journal of Organic Chemistry 1976, V41(21), P3399-403 CAPLUS