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    Technical details about CAS 110931-77-6, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 110931-77-6

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    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

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    2D Structure
    1. Also known as: 110931-77-6, 4-(2,4-difluorophenyl)-4-oxobutyric acid, 3-(2,4-difluorobenzoyl)propionic acid, 3-(2',4'-difluorobenzoyl)propionic acid, Mfcd00143016, 4-(2,4-difluorophenyl)-4-oxobutanoicacid
    Molecular Formula
    C10H8F2O3
    Molecular Weight
    214.16  g/mol
    InChI Key
    OKYUHFSCTFNDFB-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(2,4-difluorophenyl)-4-oxobutanoic acid
    2.1.2 InChI
    InChI=1S/C10H8F2O3/c11-6-1-2-7(8(12)5-6)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15)
    2.1.3 InChI Key
    OKYUHFSCTFNDFB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1F)F)C(=O)CCC(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 110931-77-6

    2. 4-(2,4-difluorophenyl)-4-oxobutyric Acid

    3. 3-(2,4-difluorobenzoyl)propionic Acid

    4. 3-(2',4'-difluorobenzoyl)propionic Acid

    5. Mfcd00143016

    6. 4-(2,4-difluorophenyl)-4-oxobutanoicacid

    7. Schembl3527017

    8. Posaconazole Related Compound 1

    9. Dtxsid00378877

    10. Zinc2512396

    11. Ab3648

    12. Akos000156915

    13. As-65009

    14. Db-028590

    15. Cs-0130721

    16. D4585

    17. Ft-0657787

    18. 4-(2,4-difluorophenyl);-4-oxobutanoic Acid

    19. En300-50232

    20. 3-(perfluorooctyl)-2-hydroxypropylacrylate

    21. 931d776

    22. A802269

    23. Z607822476

    24. 4-[2,4-bis(fluoranyl)phenyl]-4-oxidanylidene-butanoic Acid

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 214.16 g/mol
    Molecular Formula C10H8F2O3
    XLogP31.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass214.04415044 g/mol
    Monoisotopic Mass214.04415044 g/mol
    Topological Polar Surface Area54.4 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity255
    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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