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    Chemistry

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    Also known as: 66353-47-7, 1-(2,4-dichlorophenyl)butan-1-one, Mfcd09028060, 1-butanone, 1-(2,4-dichlorophenyl)-, 2,4-dichlorophenyl propyl ketone, 2,4-dichloro butyrophenone
    Molecular Formula
    C10H10Cl2O
    Molecular Weight
    217.09  g/mol
    InChI Key
    FXCJYMLJTUZGDU-UHFFFAOYSA-N
    CAS 66353-47-7
    1 2D Structure

    CAS 66353-47-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(2,4-dichlorophenyl)butan-1-one
    2.1.2 InChI
    InChI=1S/C10H10Cl2O/c1-2-3-10(13)8-5-4-7(11)6-9(8)12/h4-6H,2-3H2,1H3
    2.1.3 InChI Key
    FXCJYMLJTUZGDU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCC(=O)C1=C(C=C(C=C1)Cl)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 66353-47-7

    2. 1-(2,4-dichlorophenyl)butan-1-one

    3. Mfcd09028060

    4. 1-butanone, 1-(2,4-dichlorophenyl)-

    5. 2,4-dichlorophenyl Propyl Ketone

    6. 2,4-dichloro Butyrophenone

    7. 2`,4`-dichlorobutyrophenone

    8. Schembl2125979

    9. 2\',4\'-dichlorobutyrophenone

    10. Dtxsid10524848

    11. Zinc22001495

    12. Akos010522895

    13. Ac-8764

    14. As-31021

    15. Sy015391

    16. Am20040981

    17. Cs-0224136

    18. D3468

    19. Ft-0641063

    20. Z1696844494

    21. 2 Inverted Exclamation Mark ,4 Inverted Exclamation Mark -dichlorobutyrophenone

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 217.09 g/mol
    Molecular Formula C10H10Cl2O
    XLogP33.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count3
    Exact Mass216.0108703 g/mol
    Monoisotopic Mass216.0108703 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity182
    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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