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71682-96-7

71682-96-7 structural image
Product Name: 2,5-DIFLUOROBENZOYLACETONITRILE
Formula: C9H5F2NO
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COMPUTED DESCRIPTORS

Molecular Weight 181.14 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 181.03392011 g/mol
Monoisotopic Mass 181.03392011 g/mol
Topological Polar Surface Area 40.9 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 245
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes