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142501-42-6

142501-42-6 structural image
Product Name: 2,4,5-TRIFLUOROBENZOYLACETONITRILE
Formula: C9H4F3NO
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COMPUTED DESCRIPTORS

Molecular Weight 199.13 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 199.02449824 g/mol
Monoisotopic Mass 199.02449824 g/mol
Topological Polar Surface Area 40.9 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 273
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