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    Technical details about CAS 7499-07-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 7499-07-2

    BUILDING BLOCK

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    2D Structure
    Also known as: 7499-07-2, 4-chloro-2-methylbenzoicacid, Benzoic acid, 4-chloro-2-methyl-, 4-chloro-o-toluic acid, 2-methyl-4-chlorobenzoic acid, Mfcd00045852
    Molecular Formula
    C8H7ClO2
    Molecular Weight
    170.59  g/mol
    InChI Key
    XXFKOBGFMUIWDH-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

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

    1. 7499-07-2

    2. 4-chloro-2-methylbenzoicacid

    3. Benzoic Acid, 4-chloro-2-methyl-

    4. 4-chloro-o-toluic Acid

    5. 2-methyl-4-chlorobenzoic Acid

    6. Mfcd00045852

    7. 4-chloro-2-methyl-benzoic Acid

    8. Nsc407521

    9. O-toluic Acid, 4-chloro-

    10. Schembl109654

    11. Dtxsid60324678

    12. Zinc160567

    13. Act07373

    14. Cl8113

    15. 4-chloro-2-methylbenzoic Acid, 96%

    16. Akos005258514

    17. Ac-9040

    18. Cs-w008346

    19. Fs-1530

    20. Nsc 407521

    21. Nsc-407521

    22. Sy017097

    23. Db-011427

    24. Am20060096

    25. Ft-0636510

    26. Ae-842/31479031

    27. J-514969

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 170.59 g/mol
    Molecular Formula C8H7ClO2
    XLogP32.4
    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