CAS Registry Number: 54045-74-8

Name:

5-​Thiazolecarboxylic acid, 2-​bromo-​, methyl ester
2-​Bromo-​1,​3-​thiazole-​5-​carboxylic acid methyl ester; 2-​Bromo-​5-​(methoxycarbonyl)​thiazole; 2-​Bromothiazole-​5-​carboxylic acid methyl ester; Methyl 2-​bromo-​1,​3-​thiazole-​5-​carboxylate; Methyl 2-​bromothiazole-​5-​carboxylate 

Chemical Formula: C5H4BrNO2S
Exact Mass: 220.91
Molecular Weight: 222.06
m/z: 222.91 (100.0%), 220.91 (98.2%), 221.92 (5.4%), 223.92 (5.3%), 224.91 (4.4%), 223.91 (1.4%), 221.91 (1.1%)
Elemental Analysis: C, 27.04; H, 1.82; Br, 35.98; N, 6.31; O, 14.41; S, 14.44

InChI: InChI=1S/C5H4BrNO2S/c1-9-4(8)3-2-7-5(6)10-3/h2H,1H3
InChIKey: HNLVIKMXFBRZDF-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CN=C(S1)Br

Specification

98%

PCT Int. Appl. (2014), WO 2014113485 A1 20140724.

PCT Int. Appl. (2014), WO 2014014937 A1 20140123.