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898777-71-4

898777-71-4 structural image
Product Name: ETHYL 7-OXO-7-(2-TRIFLUOROMETHYLPHENYL)HEPTANOATE
Formula: C16H19F3O3
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COMPUTED DESCRIPTORS

Molecular Weight 316.31 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 9
Exact Mass 316.12862895 g/mol
Monoisotopic Mass 316.12862895 g/mol
Topological Polar Surface Area 43.4 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 366
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