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94856-19-6

94856-19-6 structural image
Product Name: 1-(2,5-dimethylphenyl)-4,4,4-trifluorobutane-1,3-dione
Formula: C12H11F3O2
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COMPUTED DESCRIPTORS

Molecular Weight 244.21 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 244.07111408 g/mol
Monoisotopic Mass 244.07111408 g/mol
Topological Polar Surface Area 34.1 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 309
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