CAS
15813-08-8 Purity
98%
15813-08-8 Purity
98%
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The molecular formula is C5H3BrN2O3.
The molecular weight is 218.99 g/mol.
The IUPAC name is 3-bromo-5-nitro-1H-pyridin-2-one.
The InChI is "InChI=1S/C5H3BrN2O3/c6-4-1-3(8(10)11)2-7-5(4)9/h1-2H,(H,7,9)".
The InChIKey is "KWSOHRDMTWDAOI-UHFFFAOYSA-N".
The canonical SMILES is "C1=C(C(=O)NC=C1[N+](=O)[O-])Br".
The CAS number is 15862-33-6.
It has one hydrogen bond donor count.
It has three hydrogen bond acceptor counts.