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    Technical details about CAS 130336-16-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 130336-16-2

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    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 130336-16-2, 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone, 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethan-1-one, 1-(3,5-dichloro-phenyl)-2,2,2-trifluoro-ethanone, 3,5-dichloro-2',2',2'-trifluoroacetophenone, Ec 675-511-0
    Molecular Formula
    C8H3Cl2F3O
    Molecular Weight
    243.01  g/mol
    InChI Key
    DZDSQRPDUCSOQV-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone
    2.1.2 InChI
    InChI=1S/C8H3Cl2F3O/c9-5-1-4(2-6(10)3-5)7(14)8(11,12)13/h1-3H
    2.1.3 InChI Key
    DZDSQRPDUCSOQV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C=C(C=C1Cl)Cl)C(=O)C(F)(F)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 130336-16-2

    2. 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone

    3. 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethan-1-one

    4. 1-(3,5-dichloro-phenyl)-2,2,2-trifluoro-ethanone

    5. 3,5-dichloro-2',2',2'-trifluoroacetophenone

    6. Ec 675-511-0

    7. Schembl44147

    8. Amy8621

    9. Dtxsid20374230

    10. Bcp06901

    11. Zinc2378577

    12. Mfcd01319996

    13. Akos005259344

    14. Ab08949

    15. Ac-28649

    16. Ds-18064

    17. Cs-0035131

    18. D5113

    19. 1-(3,5-dichlorophenyl)-2,2,2-trifluro-ethanone

    20. A806068

    21. 1-(3,5-dichloro-phenyl)-2,2,2-trifluor-ethanone

    22. 1-(3,5-dichloro-phenyl)-2,2,2-trifluoroethanone

    23. 1-(3,5-dichlorophenyl)-2,2,2-trifluoro-ethanone

    24. J-005796

    25. Alpha,alpha,alpha-trifluoro-3',5'-dichloroacetophenone

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 243.01 g/mol
    Molecular Formula C8H3Cl2F3O
    XLogP34
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass241.9513046 g/mol
    Monoisotopic Mass241.9513046 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity219
    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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