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    Technical details about CAS 403-15-6, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 403-15-6

    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: 403-15-6, 4-fluoro-m-toluic acid, 3-methyl-4-fluorobenzoic acid, 4-fluoro-3-methyl-benzoic acid, Benzoic acid, 4-fluoro-3-methyl-, Mfcd01631424
    Molecular Formula
    C8H7FO2
    Molecular Weight
    154.14  g/mol
    InChI Key
    VOCCEVKUXUIHOI-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-fluoro-3-methylbenzoic acid
    2.1.2 InChI
    InChI=1S/C8H7FO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)
    2.1.3 InChI Key
    VOCCEVKUXUIHOI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CC(=C1)C(=O)O)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 403-15-6

    2. 4-fluoro-m-toluic Acid

    3. 3-methyl-4-fluorobenzoic Acid

    4. 4-fluoro-3-methyl-benzoic Acid

    5. Benzoic Acid, 4-fluoro-3-methyl-

    6. Mfcd01631424

    7. 3-methyl-4-fluoro Benzoic Acid

    8. Nsc51778

    9. Schembl385343

    10. Dtxsid80287615

    11. Zinc403351

    12. Act00835

    13. Ck2241

    14. Nsc-51778

    15. 4-fluoro-3-methylbenzoic Acid, 97%

    16. Akos005258535

    17. Ac-3981

    18. Cs-w007680

    19. Fs-1097

    20. Sy007282

    21. Db-011434

    22. Am20040411

    23. F0560

    24. Ft-0618483

    25. En300-69096

    26. Z1259335898

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 154.14 g/mol
    Molecular Formula C8H7FO2
    XLogP32.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass154.04300762 g/mol
    Monoisotopic Mass154.04300762 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity158
    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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