CAS
4707-24-8 Purity
96%
4707-24-8 Purity
96%
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Specification
The molecular formula is C8H6FN.
The molecular weight is 135.14 g/mol.
The IUPAC name is 2-(3-fluorophenyl)acetonitrile.
The InChI is InChI=1S/C8H6FN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2.
The InChIKey is DEJPYROXSVVWIE-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=CC(=C1)F)CC#N.
The CAS number is 501-00-8.
The European Community (EC) number is 207-918-2.
The UNII is 52V7K4FR47.
Yes, 3-Fluorophenylacetonitrile is a canonicalized compound.