CAS
933585-10-5 Purity
96%
933585-10-5 Purity
96%
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The molecular formula is C5H3BrN2O.
The molecular weight is 186.99 g/mol.
The IUPAC name is 5-bromopyrimidine-4-carbaldehyde.
The InChI is InChI=1S/C5H3BrN2O/c6-4-1-7-3-8-5(4)2-9/h1-3H.
The InChIKey is KVIYGKRGFGJVFL-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C(=NC=N1)C=O)Br.
The CAS number is 933746-26-0.
The EC number is 820-576-4.
The XLogP3-AA value is 0.7.
Yes, it is a canonicalized compound.