CAS
51934-38-4 Purity
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51934-38-4 Purity
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The molecular formula is C5H3BrN2O3.
The molecular weight is 218.99 g/mol.
The IUPAC name is 2-bromo-4-nitro-1-oxidopyridin-1-ium.
The InChI is InChI=1S/C5H3BrN2O3/c6-5-3-4(8(10)11)1-2-7(5)9/h1-3H.
The InChIKey is IRBDHXCXCSFNEQ-UHFFFAOYSA-N.
The canonical SMILES is C1=C[N+](=C(C=C1[N+](=O)[O-])Br)[O-].
The CAS number is 52092-43-0.
The EC number is 661-534-3.
The DSSTox Substance ID is DTXSID00397866.
The molecular weight is 218.99 g/mol (computed by PubChem).