CAS Registry Number: 941294-58-2

Name:

3-​Pyridinecarboxylic acid, 6-​bromo-​, 1,​1-​dimethylethyl ester
6-​Bromonicotinic acid tert-​butyl ester; tert-​Butyl 6-​bromonicotinate 

Chemical Formula: C10H12BrNO2
Exact Mass: 257.01
Molecular Weight: 258.11
m/z: 257.01 (100.0%), 259.00 (97.3%), 258.01 (11.0%), 260.01 (10.8%), 259.01 (1.0%)

InChI: InChI=1S/C10H12BrNO2/c1-10(2,3)14-9(13)7-4-5-8(11)12-6-7/h4-6H,1-3H3
InChIKey: RTRMFSKLFAYIDW-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)C1=CN=C(C=C1)Br

Specification

98%

PCT Int. Appl. (2013), WO 2013056034 A1 20130418.

PCT Int. Appl. (2011), WO 2011035324 A1 20110324.