93129-38-5 Purity
97.0%(GC)
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Specification
The molecular formula of 4-Cyano-2-fluoro-biphenyl is C13H8FN.
The molecular weight of 4-Cyano-2-fluoro-biphenyl is 197.21 g/mol.
The IUPAC name of 4-Cyano-2-fluoro-biphenyl is 3-fluoro-4-phenylbenzonitrile.
The InChIKey of 4-Cyano-2-fluoro-biphenyl is IBMLGDKPIPQNME-UHFFFAOYSA-N.
The Canonical SMILES of 4-Cyano-2-fluoro-biphenyl is C1=CC=C(C=C1)C2=C(C=C(C=C2)C#N)F.
The CAS number of 4-Cyano-2-fluoro-biphenyl is 93129-69-2.
There are 0 hydrogen bond donor counts in 4-Cyano-2-fluoro-biphenyl.
The XLogP3 value of 4-Cyano-2-fluoro-biphenyl is 3.9.
There is 1 rotatable bond count in 4-Cyano-2-fluoro-biphenyl.
Yes, 4-Cyano-2-fluoro-biphenyl is a canonicalized compound.