CAS
1211531-66-6 Purity
97%
1211531-66-6 Purity
97%
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Specification
The molecular formula is C5H2Br2N2O.
It was created on 2012-08-19 and modified on 2023-12-30.
The IUPAC name is 3,6-dibromopyrazine-2-carbaldehyde.
The InChI is InChI=1S/C5H2Br2N2O/c6-4-1-8-5(7)3(2-10)9-4/h1-2H.
The InChIKey is AQLHAAMPLQHZRM-UHFFFAOYSA-N.
The Canonical SMILES is C1=C(N=C(C(=N1)Br)C=O)Br.
The molecular weight is 265.89 g/mol.
It has 3 hydrogen bond acceptor counts.
The topological polar surface area is 42.8A².
Yes, the compound is considered canonicalized in PubChem.