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    Technical details about CAS 161957-55-7, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 161957-55-7

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    2D Structure
    1. Also known as: 161957-55-7, 2-fluoro-3-chlorobenzoic acid, 3-chloro-2-fluorobenzoicacid, 3-chloro-2-fluoro-benzoic acid, Mfcd00042506, 3-chloro-2-fluoro benzoic acid
    Molecular Formula
    C7H4ClFO2
    Molecular Weight
    174.55  g/mol
    InChI Key
    FCSSYEWURMTUSM-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

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

    1. 161957-55-7

    2. 2-fluoro-3-chlorobenzoic Acid

    3. 3-chloro-2-fluorobenzoicacid

    4. 3-chloro-2-fluoro-benzoic Acid

    5. Mfcd00042506

    6. 3-chloro-2-fluoro Benzoic Acid

    7. Nsc190683

    8. Schembl401838

    9. Zinc403972

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

    11. Act00854

    12. 3-chloro-2-fluorobenzoic Acid, 98%

    13. Akos005255074

    14. Ab01929

    15. Ac-1904

    16. Cs-w017482

    17. Nsc-190683

    18. Ps-8620

    19. Sy014701

    20. Db-031115

    21. Am20030089

    22. Ft-0615338

    23. A19976

    24. 957c557

    25. J-512186

    26. F8880-1898

    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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