CAS Registry Number 677304-75-5
Name:
1,​2-​Benzisothiazole-​3-​carboxylic acid, 6-​bromo-
6-Bromo-1,2-benzisothiazole-3-carboxylic acid
6-Bromobenzo[d]isothiazole-3-carboxylic acid

Chemical Formula: C8H4BrNO2S
Exact Mass: 256.91
Molecular Weight: 258.09
m/z: 258.91 (100.0%), 256.91 (98.2%), 257.92 (8.6%), 259.92 (8.4%), 260.91 (4.4%), 259.91 (1.5%), 257.91 (1.1%)

InChI: InChI=1S/C8H4BrNO2S/c9-4-1-2-5-6(3-4)13-10-7(5)8(11)12/h1-3H,(H,11,12)
InChIKey: FWQJCLJQWQXNTD-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C=C1Br)SN=C2C(=O)O

Specification

98%

PCT Int. Appl. (2011), WO 2011003418 A1 20110113.

PCT Int. Appl. (2009), WO 2009089462 A1 20090716.