CAS Registry Number: 51171-02-9

Name:

2-​Pyrazinecarboxylic acid, 3-​bromo-​, methyl ester
Pyrazinecarboxylic acid, 3-​bromo-​, methyl ester (9CI); 3-​Bromopyrazine-​2-​carboxylic acid methyl ester; Methyl 2-​bromopyrazine-​3-​carboxylate 

Chemical Formula: C6H5BrN2O2
Exact Mass: 215.95
Molecular Weight: 217.02
m/z: 215.95 (100.0%), 217.95 (97.3%), 218.95 (7.0%), 216.96 (6.6%)
Elemental Analysis: C, 33.21; H, 2.32; Br, 36.82; N, 12.91; O, 14.74

InChI: InChI=1S/C6H5BrN2O2/c1-11-6(10)4-5(7)9-3-2-8-4/h2-3H,1H3
InChIKey: CMITUAXQMWSHLL-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=NC=CN=C1Br

Specification

98%

1. (1) Ellingson, R. C.; Journal of the American Chemical Society 1949, V71, P2798-800 CAPLUS
2. (2) Blythin, David J.; US 4680297 A 1987 CAPLUS
3. (3) Blythin, David John; EP 127135 A2 1984 CAPLUS