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898784-47-9

898784-47-9 structural image
Product Name: 2-(2-CYANOPHENYL)-3'-TRIFLUOROMETHYLACETOPHENONE
Formula: C16H10F3NO
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COMPUTED DESCRIPTORS

Molecular Weight 289.25 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 289.07144843 g/mol
Monoisotopic Mass 289.07144843 g/mol
Topological Polar Surface Area 40.9 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 423
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