CAS Registry Number: 110545-67-0

Name:

2-​Thiophenecarboxylic acid, 4-​bromo-​3-​methoxy-​, methyl ester
Methyl 3-​methoxy-​4-​bromo-​2-​thiophenecarboxylate; Methyl 4-​bromo-​3-​(methyloxy)​-​2-​thiophenecarboxylate; Methyl 4-​bromo-​3-​methoxythiophene-​2-​carboxylate 

Chemical Formula: C7H7BrO3S
Exact Mass: 249.93
Molecular Weight: 251.10
m/z: 251.93 (100.0%), 249.93 (97.6%), 252.93 (8.5%), 250.93 (8.3%), 253.92 (4.3%)
Elemental Analysis: C, 33.48; H, 2.81; Br, 31.82; O, 19.12; S, 12.77

InChI: InChI=1S/C7H7BrO3S/c1-10-5-4(8)3-12-6(5)7(9)11-2/h3H,1-2H3
InChIKey: AAUKODCGPDBXCN-UHFFFAOYSA-N
Canonical SMILES : COC1=C(SC=C1Br)C(=O)OC

Specification

98%

1. (1) Corral, Carlos; European Journal of Medicinal Chemistry 1987, V22(3), P251-4 CAPLUS
2. (2) Savitha, Gurunathan; Tetrahedron Letters 2011, V52(12), P1288-1291 CAPLUS