CAS
911797-64-3 Purity
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911797-64-3 Purity
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Specification
The molecular formula is C11H8BrN.
It was first created on July 19, 2005.
The IUPAC name is 3-bromo-2-phenylpyridine.
The InChI is InChI=1S/C11H8BrN/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-8H.
The InChIKey is QODMOFYNGFSWSQ-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC=C(C=C1)C2=C(C=CC=N2)Br.
The molecular weight is 234.09 g/mol.
The XLogP3-AA value is 3.2.
It has 1 hydrogen bond acceptor.
Yes, it is a canonicalized compound.