1-(2',4'-DIFLUORO[1,1'-BIPHENYL]-4-YL)ETHAN-1-ONE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30201806

Structure

InChI Key HSNQVADZWQJQJJ-UHFFFAOYSA-N
Smiles O=C(C=1C=CC(=CC1)C2=CC=C(F)C=C2F)C
InChI
InChI=1/C14H10F2O/c1-9(17)10-2-4-11(5-3-10)13-7-6-12(15)8-14(13)16/h2-8H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H10F2O
Molecular Weight 232.07
AlogP 3.83
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 53591-79-0
NORMAN SUSDAT
PubChem 104542
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