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    Technical details about CAS 102940-86-3, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 102940-86-3

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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: 102940-86-3, 2-chloro-3-fluorobenzoicacid, Benzoic acid, 2-chloro-3-fluoro-, Mfcd00973903, 2-chloro-3-fluoro-benzoic acid, Nsc190300
    Molecular Formula
    C7H4ClFO2
    Molecular Weight
    174.55  g/mol
    InChI Key
    WJYAYXKXZNITAZ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

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

    1. 102940-86-3

    2. 2-chloro-3-fluorobenzoicacid

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

    4. Mfcd00973903

    5. 2-chloro-3-fluoro-benzoic Acid

    6. Nsc190300

    7. Schembl333947

    8. Dtxsid30307155

    9. Bis-(4-fluororphenyl)-acetic Acid

    10. Act07317

    11. Zinc1732023

    12. Bbl100739

    13. Cl8034

    14. Stl554533

    15. 2-chloranyl-3-fluoranyl-benzoic Acid

    16. Akos005145855

    17. Ac-3927

    18. Cs-w017481

    19. Nsc-190300

    20. Ps-8624

    21. Sy019211

    22. 2-chloro-3-fluorobenzoic Acid, Aldrichcpr

    23. Db-006043

    24. A1830

    25. Am20060104

    26. Ft-0642510

    27. 940c863

    28. A802346

    29. J-508654

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 174.55 g/mol
    Molecular Formula C7H4ClFO2
    XLogP32.2
    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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