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    Technical details about CAS 7697-29-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 7697-29-2

    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: 7697-29-2, 4-chloro-m-toluic acid, 4-chloro-3-methyl-benzoic acid, Benzoic acid, 4-chloro-3-methyl-, 4-chloro-3-methyl benzoic acid, M-toluic acid, 4-chloro-
    Molecular Formula
    C8H7ClO2
    Molecular Weight
    170.59  g/mol
    InChI Key
    MRUKIIWRMSYKML-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-chloro-3-methylbenzoic acid
    2.1.2 InChI
    InChI=1S/C8H7ClO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)
    2.1.3 InChI Key
    MRUKIIWRMSYKML-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CC(=C1)C(=O)O)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 7697-29-2

    2. 4-chloro-m-toluic Acid

    3. 4-chloro-3-methyl-benzoic Acid

    4. Benzoic Acid, 4-chloro-3-methyl-

    5. 4-chloro-3-methyl Benzoic Acid

    6. M-toluic Acid, 4-chloro-

    7. Mfcd00045853

    8. 4-chloro-3-methylbenzoicacid

    9. Nsc137157

    10. Unii-rvz2r7f8lt

    11. Rvz2r7f8lt

    12. Schembl703101

    13. Dtxsid20300473

    14. 4-chloranyl-3-methyl-benzoic Acid

    15. Zinc406427

    16. Ck2202

    17. Akos000298654

    18. Cs-w017676

    19. Fs-1531

    20. Nsc 137157

    21. Nsc-137157

    22. Ac-23640

    23. Sy014466

    24. Db-031132

    25. A9755

    26. Am20060097

    27. Ft-0618074

    28. 697c292

    29. A838921

    30. Ae-562/43459897

    31. J-515020

    32. F0001-1971

    33. Z1696832944

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 170.59 g/mol
    Molecular Formula C8H7ClO2
    XLogP33
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass170.0134572 g/mol
    Monoisotopic Mass170.0134572 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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