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898783-70-5

898783-70-5 structural image
Product Name: 4-OXO-4-(4-TRIFLUOROMETHYLPHENYL)BUTYRONITRILE
Formula: C11H8F3NO
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COMPUTED DESCRIPTORS

Molecular Weight 227.18 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 227.05579836 g/mol
Monoisotopic Mass 227.05579836 g/mol
Topological Polar Surface Area 40.9 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 294
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