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    Technical details about CAS 110877-64-0, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 110877-64-0

    Manufacturers/Suppliers

    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: 110877-64-0, Benzoic acid, 2-chloro-4,5-difluoro-, 2-chloro-4,5-difluoro-benzoic acid, Mfcd00077479, 2'-chloro-4',5'-difluorobenzoic acid, Schembl979056
    Molecular Formula
    C7H3ClF2O2
    Molecular Weight
    192.55  g/mol
    InChI Key
    CGFMLBSNHNWJAW-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chloro-4,5-difluorobenzoic acid
    2.1.2 InChI
    InChI=1S/C7H3ClF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
    2.1.3 InChI Key
    CGFMLBSNHNWJAW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C(=CC(=C1F)F)Cl)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 110877-64-0

    2. Benzoic Acid, 2-chloro-4,5-difluoro-

    3. 2-chloro-4,5-difluoro-benzoic Acid

    4. Mfcd00077479

    5. 2'-chloro-4',5'-difluorobenzoic Acid

    6. Schembl979056

    7. Dtxsid60353180

    8. 2-chloro-4,5-difluorobenzoicacid

    9. Zinc164784

    10. Act00629

    11. 2 -chloro-4,5-difluorobenzoic Acid

    12. 2-chloro-4,5- Difluorobenzoic Acid

    13. Akos000120274

    14. Ac-3925

    15. Cs-w015797

    16. Gs-3091

    17. Ncgc00338548-01

    18. 2-chloro-4,5-difluorobenzoic Acid, 99%

    19. Db-020803

    20. Am20060085

    21. Ft-0611747

    22. Ab01141503-03

    23. J-508711

    24. F0001-0232

    25. Z256707796

    2.3 Create Date
    2005-07-08
    3 Chemical and Physical Properties
    Molecular Weight 192.55 g/mol
    Molecular Formula C7H3ClF2O2
    XLogP32.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass191.9789634 g/mol
    Monoisotopic Mass191.9789634 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity188
    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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