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The molecular formula is C7H7BrN2O2.
The molecular weight is 231.05 g/mol.
The IUPAC name is methyl 6-bromo-5-methylpyrazine-2-carboxylate.
The InChI is InChI=1S/C7H7BrN2O2/c1-4-6(8)10-5(3-9-4)7(11)12-2/h3H,1-2H3.
The InChIKey is TZPBBQPUHKINGG-UHFFFAOYSA-N.
The canonical SMILES is CC1=NC=C(N=C1Br)C(=O)OC.
The XLogP3-AA value is 1.4.
It has a hydrogen bond donor count of 0.
It has a hydrogen bond acceptor count of 4.
The topological polar surface area is 52.1 ?2.
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