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    Technical details about CAS 394-30-9, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 394-30-9

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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: 394-30-9, 2-fluoro-5-chlorobenzoic acid, Benzoic acid, 5-chloro-2-fluoro-, 5-chloro-2-fluoro-benzoic acid, Mfcd00665762, Schembl283203
    Molecular Formula
    C7H4ClFO2
    Molecular Weight
    174.55  g/mol
    InChI Key
    WGAVMKXCDMQVNF-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-chloro-2-fluorobenzoic acid
    2.1.2 InChI
    InChI=1S/C7H4ClFO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
    2.1.3 InChI Key
    WGAVMKXCDMQVNF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1Cl)C(=O)O)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 394-30-9

    2. 2-fluoro-5-chlorobenzoic Acid

    3. Benzoic Acid, 5-chloro-2-fluoro-

    4. 5-chloro-2-fluoro-benzoic Acid

    5. Mfcd00665762

    6. Schembl283203

    7. 5-chloro-2- Fluorobenzoic Acid

    8. Dtxsid60371425

    9. Zinc403961

    10. Act00574

    11. Bbl100255

    12. Stl169010

    13. 5-chloro-2-fluorobenzoic Acid, 97%

    14. Akos001274850

    15. Ab06694

    16. Bs-3949

    17. Cs-w002658

    18. Ncgc00337407-01

    19. Sy017058

    20. Db-007006

    21. A6598

    22. Am20100040

    23. Ft-0620242

    24. En300-21731

    25. Ab01329667-02

    26. 394c309

    27. W-202625

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 174.55 g/mol
    Molecular Formula C7H4ClFO2
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass173.9883852 g/mol
    Monoisotopic Mass173.9883852 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity163
    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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