CAS Registry Number: 79091-24-0

Name:

Pyrimidine, 5-​bromo-​4-​chloro-​2-​(methylsulfonyl)​-
NSC 46963 

Chemical Formula: C5H4BrClN2O2S
Exact Mass: 269.89
Molecular Weight: 271.52
m/z: 271.88 (100.0%), 269.89 (74.8%), 273.88 (27.7%), 272.89 (5.6%), 270.89 (4.7%), 274.88 (1.9%), 272.88 (1.5%), 275.88 (1.1%)

InChI: InChI=1S/C5H4BrClN2O2S/c1-12(10,11)5-8-2-3(6)4(7)9-5/h2H,1H3
InChIKey: FATRNESSGITUQV-UHFFFAOYSA-N
Canonical SMILES : CS(=O)(=O)C1=NC=C(C(=N1)Cl)Br

Specification

98%

1. (1) Hurst, Derek T.; Heterocycles 1985, V23(3), P611-16 CAPLUS
2. (2) Elliott, Arthur J.; Journal of Heterocyclic Chemistry 1981, V18(4), P799-800 CAPLUS