CAS
1189757-62-7 Purity
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1189757-62-7 Purity
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Specification
The molecular formula is C5H3BrFNO.
The IUPAC name is 3-bromo-5-fluoro-1H-pyridin-4-one.
The molecular weight is 191.99 g/mol.
The InChI is InChI=1S/C5H3BrFNO/c6-3-1-8-2-4(7)5(3)9/h1-2H,(H,8,9).
The InChIKey is GNXBRKDCLLYOHE-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C(=O)C(=CN1)Br)F.
The CAS number is 1214342-60-5.
The hydrogen bond donor count is 1.
The hydrogen bond acceptor count is 3.
Yes, 3-Bromo-5-fluoropyridin-4-ol is a canonicalized compound.