CAS
932813-53-1 Purity
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932813-53-1 Purity
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Specification
The molecular formula is C5H3Br2NO.
The IUPAC name is 4,5-dibromo-1H-pyrrole-2-carbaldehyde.
The InChI is InChI=1S/C5H3Br2NO/c6-4-1-3(2-9)8-5(4)7/h1-2,8H.
The InChIKey is IJBMHOCPMBSRPX-UHFFFAOYSA-N.
The canonical SMILES is C1=C(NC(=C1Br)Br)C=O.
The molecular weight is 252.89 g/mol.
The CAS number is 932-82-1.
It has 1 hydrogen bond donor count.
It has 1 hydrogen bond acceptor count.
It has 1 rotatable bond count.