CAS Registry Number: 287714-35-6

Name:

5-​Pyrimidinecarboxylic acid, 2-​chloro-​, methyl ester
2-​Chloro-​5-​(methoxycarbonyl)​pyrimidine; 2-​Chloropyrimidine-​5-​carboxylic acid methyl ester; Methyl 2-​chloropyrimidine-​5-​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)4-2-8-6(7)9-3-4/h2-3H,1H3
InChIKey: VJOKXLBQCKCWLV-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CN=C(N=C1)Cl

Specification

98%

PCT Int. Appl. (2013), WO 2013026587 A1 20130228.

PCT Int. Appl. (2012), WO 2012173917 A1 20121220.