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The molecular formula is C6H5BrN2O2.
The synonyms are 5-Bromo-6-methylpyrimidine-4-carboxylic acid, 933683-74-0, 5-bromo-6-methyl-4-Pyrimidinecarboxylic acid, DTXSID10856777, SB59133.
The molecular weight is 217.02 g/mol.
The IUPAC name is 5-bromo-6-methylpyrimidine-4-carboxylic acid.
The InChI is InChI=1S/C6H5BrN2O2/c1-3-4(7)5(6(10)11)9-2-8-3/h2H,1H3,(H,10,11).
The InChIKey is QQRJUUXEDOXYTB-UHFFFAOYSA-N.
The canonical SMILES is CC1=C(C(=NC=N1)C(=O)O)Br.
The CAS number is 933683-74-0.
The XLogP3-AA value is 1.2.
Yes, it is a canonicalized compound.
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