CAS
95533-25-8 Purity
96%
95533-25-8 Purity
96%
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The molecular formula is C9H12BrNO.
The molecular weight is 230.10 g/mol.
The IUPAC name is 1-(6-bromopyridin-2-yl)-2-methylpropan-2-ol.
The InChI is InChI=1S/C9H12BrNO/c1-9(2,12)6-7-4-3-5-8(10)11-7/h3-5,12H,6H2,1-2H3.
The InChIKey is SLUXYSRNGUAGSL-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(CC1=NC(=CC=C1)Br)O.
The CAS number is 955369-59-2.
The XLogP3-AA value is 2.1.
There is 1 hydrogen bond donor count.
There are 2 hydrogen bond acceptor counts.