CAS Registry Number: 1259396-11-6

Name:

3-​Thiophenecarboxylic acid, 5-​bromo-​2-​methyl-​, methyl ester

Chemical Formula: C7H7BrO2S
Exact Mass: 233.94
Molecular Weight: 235.10
m/z: 235.93 (100.0%), 233.94 (98.2%), 234.94 (7.6%), 236.94 (7.4%), 237.93 (4.3%), 236.93 (1.1%)
Elemental Analysis: C, 35.76; H, 3.00; Br, 33.99; O, 13.61; S, 13.64

InChI: InChI=1S/C7H7BrO2S/c1-4-5(7(9)10-2)3-6(8)11-4/h3H,1-2H3
InChIKey: KOLUIHOYXGOSFO-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=C(S1)Br)C(=O)OC

Specification

98%

PCT Int. Appl. (2013), WO 2013149940 A1 20131010.                                 

PCT Int. Appl. (2011), WO 2011162267 A1 20111229.