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The molecular formula is C12H11BrN2O3.
The PubChem CID is 53421476.
The synonym is 891190-54-8 4-(4-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid.
The molecular weight is 311.13 g/mol.
The IUPAC name is 4-(4-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid.
The InChI is InChI=1S/C12H11BrN2O3/c1-6-9(11(16)17)10(15-12(18)14-6)7-2-4-8(13)5-3-7/h2-5,10H,1H3,(H,16,17)(H2,14,15,18).
The InChIKey is PAFAARNMSRYHJT-UHFFFAOYSA-N.
The canonical SMILES is CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Br)C(=O)O.
The XLogP3-AA value is 1.4.
The hydrogen bond donor count is 3.
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