CAS
1211591-93-3 Purity
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1211591-93-3 Purity
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Specification
The molecular formula is C6H6BrNO.
The molecular weight is 188.02 g/mol.
The IUPAC name is (3-bromopyridin-4-yl)methanol.
The InChI is InChI=1S/C6H6BrNO/c7-6-3-8-2-1-5(6)4-9/h1-3,9H,4H2.
The InChIKey is LQBUZBOVEZBDEB-UHFFFAOYSA-N.
The canonical SMILES is C1=CN=CC(=C1CO)Br.
The CAS number is 146679-66-5.
The EC number is 694-910-0.
The XLogP3-AA value is 0.7.
Yes, (3-Bromo-4-pyridyl)methanol is a canonicalized compound.