117752-04-2 Purity
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Specification
The molecular formula of 2-Chloro-4,5-difluorobenzonitrile is C7H2ClF2N.
2-Chloro-4,5-difluorobenzonitrile was first created on September 13, 2005.
The molecular weight of 2-Chloro-4,5-difluorobenzonitrile is 173.55 g/mol.
The IUPAC Name of 2-Chloro-4,5-difluorobenzonitrile is 2-chloro-4,5-difluorobenzonitrile.
The InChIKey of 2-Chloro-4,5-difluorobenzonitrile is AKZDICFDUJUQRX-UHFFFAOYSA-N.
The Canonical SMILES representation of 2-Chloro-4,5-difluorobenzonitrile is C1=C(C(=CC(=C1F)F)Cl)C#N.
There are 3 hydrogen bond acceptors in 2-Chloro-4,5-difluorobenzonitrile.
The topological polar surface area of 2-Chloro-4,5-difluorobenzonitrile is 23.8 Ų.
There are 11 heavy atoms present in 2-Chloro-4,5-difluorobenzonitrile.
Yes, 2-Chloro-4,5-difluorobenzonitrile is considered to be a canonicalized compound.