CAS Registry Number 50789-16-7
Name:
1,​2-​Benzisothiazole-​3-​carboxylic acid, 6-​chloro-

Chemical Formula: C8H4ClNO2S
Exact Mass: 212.97
Molecular Weight: 213.64
m/z: 212.97 (100.0%), 214.96 (36.5%), 213.97 (8.8%), 215.97 (2.9%), 216.96 (1.5%), 213.96 (1.2%)

InChI: InChI=1S/C8H4ClNO2S/c9-4-1-2-5-6(3-4)13-10-7(5)8(11)12/h1-3H,(H,11,12)
InChIKey: ILBZSPHBQMRNNY-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C=C1Cl)SN=C2C(=O)O

Specification

98%

PCT Int. Appl. (2007), WO 2007038367 A1 20070405.