6264-67-1 Purity
98%
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Specification
The molecular formula of 2,3,4,5,6-Pentafluorophenylacetonitrile is C8H2F5N.
The molecular weight of 2,3,4,5,6-Pentafluorophenylacetonitrile is 207.10 g/mol.
The IUPAC name of 2,3,4,5,6-Pentafluorophenylacetonitrile is 2-(2,3,4,5,6-pentafluorophenyl)acetonitrile.
The InChI of 2,3,4,5,6-Pentafluorophenylacetonitrile is InChI=1S/C8H2F5N/c9-4-3(1-2-14)5(10)7(12)8(13)6(4)11/h1H2.
The InChIKey of 2,3,4,5,6-Pentafluorophenylacetonitrile is YDNOJUAQBFXZCR-UHFFFAOYSA-N.
The canonical SMILES of 2,3,4,5,6-Pentafluorophenylacetonitrile is C(C#N)C1=C(C(=C(C(=C1F)F)F)F)F.
The CAS number of 2,3,4,5,6-Pentafluorophenylacetonitrile is 653-30-5.
The European Community (EC) number of 2,3,4,5,6-Pentafluorophenylacetonitrile is 211-498-6.
The Wikidata ID of 2,3,4,5,6-Pentafluorophenylacetonitrile is Q72499825.
The XLogP3-AA value of 2,3,4,5,6-Pentafluorophenylacetonitrile is 2.1.