CAS
1227502-60-4 Purity
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1227502-60-4 Purity
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Specification
The molecular formula is C7H8BrN.
The molecular weight is 186.05 g/mol.
The IUPAC name is 4-(bromomethyl)-2-methylpyridine.
The InChI is InChI=1S/C7H8BrN/c1-6-4-7(5-8)2-3-9-6/h2-4H,5H2,1H3.
The InChIKey is MVVGGQWHXOPXRQ-UHFFFAOYSA-N.
The canonical SMILES is CC1=NC=CC(=C1)CBr.
The CAS number is 1167055-68-6.
The XLogP3-AA value is 1.8.
It has 1 hydrogen bond acceptor count.
Yes, it is a canonicalized compound.