CAS Registry Number: 932702-07-3

Name:

1,​2-​Benzisothiazole-​3-​carboxylic acid, 6-​bromo-​, 1,​1-​dimethylethyl ester

Chemical Formula: C12H12BrNO2S
Exact Mass: 312.98
Molecular Weight: 314.20
m/z: 312.98 (100.0%), 314.98 (98.6%), 313.98 (14.0%), 315.98 (13.5%), 314.97 (4.5%), 316.97 (4.4%), 316.98 (1.4%), 315.97 (1.2%)

InChI: InChI=1S/C12H12BrNO2S/c1-12(2,3)16-11(15)10-8-5-4-7(13)6-9(8)17-14-10/h4-6H,1-3H3
InChIKey: ULLIEAKUNMXLAM-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)C1=NSC2=C1C=CC(=C2)Br

Specification

98%

PCT Int. Appl. (2007), WO 2007056582 A1 20070518.

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