CAS Registry Number 677304-78-8
Name:
1,​2-​Benzisothiazole-​3-​carboxylic acid, 5-​bromo-

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/c9-4-1-2-6-5(3-4)7(8(11)12)10-13-6/h1-3H,(H,11,12)
InChIKey: LJSFFGFRQGXQEE-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C=C1Br)C(=NS2)C(=O)O

Specification

98%

PCT Int. Appl. (2014), WO 2014111457 A1 20140724.

PCT Int. Appl. (2004), WO 2004029050 A1 20040408.