CAS Registry Number: 71933-03-4

Name:

4-​Pyrimidinecarboxylic acid, 5-​bromo-​2,​3-​dihydro-​2-​oxo-​, methyl ester
4-​Pyrimidinecarboxylic acid, 5-​bromo-​1,​2-​dihydro-​2-​oxo-​, methyl ester (9CI) 

Chemical Formula: C6H5BrN2O3
Exact Mass: 231.95
Molecular Weight: 233.02
m/z: 231.95 (100.0%), 233.95 (97.9%), 232.95 (7.4%), 234.95 (6.5%)
Elemental Analysis: C, 30.93; H, 2.16; Br, 34.29; N, 12.02; O, 20.60

InChI: InChI=1S/C6H5BrN2O3/c1-12-5(10)4-3(7)2-8-6(11)9-4/h2H,1H3,(H,8,9,11)
InChIKey: LQTKGJRZBOYLEY-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=NC(=O)N1)Br

Specification

98%

Chemica Scripta (1979), 13(2-3), 99-101.