176508-81-9 Purity
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Specification
The molecular formula of 2-Fluoro-6-(trifluoromethyl)phenylacetonitrile is C9H5F4N.
It was created on 2005-07-19 and modified on 2023-12-23.
The IUPAC name is 2-[2-fluoro-6-(trifluoromethyl)phenyl]acetonitrile.
The InChI is InChI=1S/C9H5F4N/c10-8-3-1-2-7(9(11,12)13)6(8)4-5-14/h1-3H,4H2.
The CAS number is 179946-34-0.
The molecular weight is 203.14 g/mol.
There are 5 hydrogen bond acceptors.
The XLogP3-AA value is 2.6.
The topological polar surface area is 23.8 Ų.
Yes, it is a canonicalized compound according to PubChem.