CAS
952182-30-8 Purity
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952182-30-8 Purity
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Specification
The PubChem CID is 60146013.
The molecular formula is C6H7BrClNO.
The molecular weight is 224.48 g/mol.
The IUPAC name is (5-bromopyridin-2-yl)methanol;hydrochloride.
The InChI is InChI=1S/C6H6BrNO.ClH/c7-5-1-2-6(4-9)8-3-5;/h1-3,9H,4H2;1H.
The InChIKey is XLFUBEIWXFHWHJ-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=NC=C1Br)CO.Cl.
The CAS number is 31181-82-5.
The hydrogen bond donor count is 2.
Yes, (5-Bromopyridin-2-yl)methanol hydrochloride is a canonicalized compound.