CAS Registry Number: 499195-60-7

Name:

Benzoic acid, 4-​(2-​chloro-​4-​pyrimidinyl)​-​, ethyl ester

Chemical Formula: C13H11ClN2O2
Exact Mass: 262.05
Molecular Weight: 262.69
m/z: 262.05 (100.0%), 264.05 (32.1%), 263.05 (14.8%), 265.05 (4.6%), 264.06 (1.4%)

InChI: InChI=1S/C13H11ClN2O2/c1-2-18-12(17)10-5-3-9(4-6-10)11-7-8-15-13(14)16-11/h3-8H,2H2,1H3
InChIKey: PTSZMMLYAGLVQJ-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC=C(C=C1)C2=NC(=NC=C2)Cl

Specification

98%

1. (1) Cuccia, Salvatore J.; Synthetic Communications 2002, V32(19), P3011-3018 CAPLUS