CAS
935534-31-9 Purity
96%
935534-31-9 Purity
96%
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Specification
The molecular formula is C5H2BrFN2O3.
The molecular weight is 236.98 g/mol.
It was created on February 18, 2013.
It was last modified on December 30, 2023.
The IUPAC name is 2-bromo-5-fluoro-4-nitro-1-oxidopyridin-1-ium.
The InChI is InChI=1S/C5H2BrFN2O3/c6-5-1-4(9(11)12)3(7)2-8(5)10/h1-2H.
The InChIKey is ATFPCLRVCOJQTA-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C(=C[N+](=C1Br)[O-])F)[N+](=O)[O-].
The CAS number is 935534-40-0.
The XLogP3-AA value is 0.8.