CAS Registry Number: 105806-11-9

Name:

4(1H)​-​Pyrimidinone, 5-​bromo-​6-​chloro-​2-​methyl-

Chemical Formula: C5H4BrClN2O
Exact Mass: 221.92
Molecular Weight: 223.46
m/z: 223.92 (100.0%), 221.92 (77.2%), 225.91 (24.0%), 224.92 (5.5%), 222.92 (4.8%), 226.92 (1.3%)

InChI: InChI=1S/C5H4BrClN2O/c1-2-8-4(7)3(6)5(10)9-2/h1H3,(H,8,9,10)
InChIKey: DKYJKLCIGBWGMF-UHFFFAOYSA-N
Canonical SMILES : CC1=NC(=O)C(=C(N1)Cl)Br

Specification

98%

1. (1) Bagli, Jehan; Journal of Medicinal Chemistry 1988, V31(4), P814-23 CAPLUS
2. (2) Bagli, Jehan F.; US 4617393 A 1986 CAPLUS