CAS Registry Number: 21211-20-1

Name:

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

Chemical Formula: C10H6ClFO2S
Exact Mass: 243.98
Molecular Weight: 244.67
m/z: 243.98 (100.0%), 245.97 (36.5%), 244.98 (11.8%), 246.98 (4.1%), 247.97 (1.5%), 245.98 (1.0%)
Elemental Analysis: C, 49.09; H, 2.47; Cl, 14.49; F, 7.76; O, 13.08; S, 13.11

InChI: InChI=1S/C10H6ClFO2S/c1-14-10(13)9-8(11)6-3-2-5(12)4-7(6)15-9/h2-4H,1H3
InChIKey: GBCJKOYCWCNSAF-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl

Specification

98%

PCT Int. Appl. (2012), WO 2012054721 A1 20120426.                                  

PCT Int. Appl. (2010), WO 2010124114 A1 20101028.