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898757-35-2

898757-35-2 structural image
Product Name: 2'-CHLORO-4',5'-DIFLUORO-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
Formula: C17H21ClF2O3
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COMPUTED DESCRIPTORS

Molecular Weight 346.8 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 346.1147285 g/mol
Monoisotopic Mass 346.1147285 g/mol
Topological Polar Surface Area 35.5 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 395
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