63954-77-8 Purity
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Specification
The molecular formula of 2,5-Difluorobenzonitrile is C7H3F2N.
The molecular weight of 2,5-Difluorobenzonitrile is 139.10 g/mol.
The IUPAC name of 2,5-Difluorobenzonitrile is 2,5-difluorobenzonitrile.
The InChIKey of 2,5-Difluorobenzonitrile is OJTMHIMQUQOLJV-UHFFFAOYSA-N.
The Canonical SMILES representation of 2,5-Difluorobenzonitrile is C1=CC(=C(C=C1F)C#N)F.
The CAS number of 2,5-Difluorobenzonitrile is 64248-64-2.
The XLogP3 value of 2,5-Difluorobenzonitrile is 2.
There are 3 hydrogen bond acceptors in 2,5-Difluorobenzonitrile.
The topological polar surface area of 2,5-Difluorobenzonitrile is 23.8 Å2.
Yes, 2,5-Difluorobenzonitrile is a canonicalized compound.