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477847-82-8

477847-82-8 structural image
Product Name: 3,3-BIS[3-(TRIFLUOROMETHYL)BENZYL]-2,4-PENTANEDIONE
Formula: C21H18F6O2
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COMPUTED DESCRIPTORS

Molecular Weight 416.4 g/mol
XLogP3 5.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 6
Exact Mass 416.12109879 g/mol
Monoisotopic Mass 416.12109879 g/mol
Topological Polar Surface Area 34.1 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 543
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