CAS Registry Number: 149849-94-5

Name:

4-​Pyrimidinecarboxylic acid, 2-​chloro-​, methyl ester
2-​Chloropyrimidine-​4-​carboxylic acid methyl ester; Methyl 2-​chloropyrimidine-​4-​carboxylate 

Chemical Formula: C6H5ClN2O2
Exact Mass: 172.00
Molecular Weight: 172.57
m/z: 172.00 (100.0%), 174.00 (32.0%), 173.01 (6.6%), 175.00 (2.3%)
Elemental Analysis: C, 41.76; H, 2.92; Cl, 20.54; N, 16.23; O, 18.54

InChI: InChI=1S/C6H5ClN2O2/c1-11-5(10)4-2-3-8-6(7)9-4/h2-3H,1H3
InChIKey: GGTNGWOGJHJQCL-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=NC(=NC=C1)Cl

Specification

98%

PCT Int. Appl. (2013), WO 2013173382 A1 20131121.

PCT Int. Appl. (2013), WO 2013163241 A1 20131031.