CAS Registry Number: 21211-18-7

Name:

Benzo[b]​thiophene-​2-​carboxylic acid, 3,​6-​dichloro-​, methyl ester

Chemical Formula: C10H6Cl2O2S
Exact Mass: 259.95
Molecular Weight: 261.12
m/z: 259.95 (100.0%), 261.94 (68.4%), 263.94 (13.1%), 260.95 (11.8%), 262.95 (7.6%), 264.94 (1.5%), 261.95 (1.0%)
Elemental Analysis: C, 46.00; H, 2.32; Cl, 27.15; O, 12.25; S, 12.28

InChI: InChI=1S/C10H6Cl2O2S/c1-14-10(13)9-8(12)6-3-2-5(11)4-7(6)15-9/h2-4H,1H3
InChIKey: ZVRUOIZSXBNGBH-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl

Specification

98%

ACS Chemical Neuroscience (2011), 2(6), 288-293.

Collection of Czechoslovak Chemical Communications (2003), 68(5), 1020-1038.