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54083-61-3

54083-61-3 structural image
Product Name: 1,1,1-TRIFLUORO-4,4-BIS(PHENYLTHIO)BUT-3-EN-2-ONE
Formula: C16H11F3OS2
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COMPUTED DESCRIPTORS

Molecular Weight 340.4 g/mol
XLogP3 5.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 340.02034180 g/mol
Monoisotopic Mass 340.02034180 g/mol
Topological Polar Surface Area 67.7 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 373
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