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    Chemistry

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    Also known as: 179113-89-4, (3,5-difluorophenyl)(phenyl)methanone, (3,5-difluorophenyl)-phenylmethanone, Methanone, (3,5-difluorophenyl)phenyl-, Schembl2012795, Dtxsid20341043
    Molecular Formula
    C13H8F2O
    Molecular Weight
    218.20  g/mol
    InChI Key
    PNRLNUIMFIMZLI-UHFFFAOYSA-N
    CAS 179113-89-4
    1 2D Structure

    CAS 179113-89-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3,5-difluorophenyl)-phenylmethanone
    2.1.2 InChI
    InChI=1S/C13H8F2O/c14-11-6-10(7-12(15)8-11)13(16)9-4-2-1-3-5-9/h1-8H
    2.1.3 InChI Key
    PNRLNUIMFIMZLI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2)F)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 179113-89-4

    2. (3,5-difluorophenyl)(phenyl)methanone

    3. (3,5-difluorophenyl)-phenylmethanone

    4. Methanone, (3,5-difluorophenyl)phenyl-

    5. Schembl2012795

    6. Dtxsid20341043

    7. Zinc156280

    8. Mfcd00061140

    9. Akos009157607

    10. Ps-7905

    11. (3,5-difluorophenyl)(phenyl)methanone #

    12. Cs-0186057

    13. Ft-0614597

    14. F20976

    15. A812428

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 218.20 g/mol
    Molecular Formula C13H8F2O
    XLogP33.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass218.05432120 g/mol
    Monoisotopic Mass218.05432120 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity238
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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