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The molecular formula is C9H7BrN2O.
The molecular weight is 239.07 g/mol.
The IUPAC name is 4-bromo-1-methylbenzimidazole-2-carbaldehyde.
The InChI code is InChI=1S/C9H7BrN2O/c1-12-7-4-2-3-6(10)9(7)11-8(12)5-13/h2-5H,1H3.
The InChIKey is ASNYHGBIYZZGDU-UHFFFAOYSA-N.
The Canonical SMILES is CN1C2=C(C(=CC=C2)Br)N=C1C=O.
The topological polar surface area is 34.9 Ų.
There are 2 hydrogen bond acceptor counts.
Yes, the compound is canonicalized.
It was created on 2009-05-30 and last modified on 2023-12-30.
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