CAS Registry Number: 175137-11-8

Name:

2-​Thiophenecarboxylic acid, 3-​chloro-​4-​methyl-​, methyl ester
3-​Chloro-​4-​methylthiophene-​2-​carboxylic acid methyl ester; Methyl 3-​Chloro-​4-​methylthiophene-​2-​carboxylate 

Chemical Formula: C7H7ClO2S
Exact Mass: 189.99
Molecular Weight: 190.65
m/z: 189.99 (100.0%), 191.98 (36.5%), 190.99 (7.7%), 192.99 (2.5%), 193.98 (1.5%)
Elemental Analysis: C, 44.10; H, 3.70; Cl, 18.60; O, 16.78; S, 16.82

InChI: InChI=1S/C7H7ClO2S/c1-4-3-11-6(5(4)8)7(9)10-2/h3H,1-2H3
InChIKey: BUFSIDWTJVUAER-UHFFFAOYSA-N
Canonical SMILES : CC1=CSC(=C1Cl)C(=O)OC

Specification

98%

1. (1) Kochanny, Monica J.; Bioorganic & Medicinal Chemistry 2007, V15(5), P2127-2146 CAPLUS