CAS Registry Number: 1043419-29-9

Name:

3-​Pyridinecarboxylic acid, 4-​bromo-​, methyl ester

Chemical Formula: C7H6BrNO2
Exact Mass: 214.96
Molecular Weight: 216.03
m/z: 214.96 (100.0%), 216.96 (98.0%), 215.96 (8.1%), 217.96 (7.5%)
Elemental Analysis: C, 38.92; H, 2.80; Br, 36.99; N, 6.48; O, 14.81

InChI: InChI=1S/C7H6BrNO2/c1-11-7(10)5-4-9-3-2-6(5)8/h2-4H,1H3
InChIKey: SZPKROSXWRBYQI-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=CN=C1)Br

Specification

98%

PCT Int. Appl. (2013), WO 2013189904 A1 20131227. 

PCT Int. Appl. (2013), WO 2013050438 A1 20130411.