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    Technical details about CAS 37908-96-6, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 37908-96-6

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 37908-96-6, 3-chloro-p-anisic acid, Benzoic acid, 3-chloro-4-methoxy-, Xe349dxl4q, Mfcd00016512, Benzoic acid, 3-?chloro-?4-?methoxy-
    Molecular Formula
    C8H7ClO3
    Molecular Weight
    186.59  g/mol
    InChI Key
    IBCQUQXCTOPJOD-UHFFFAOYSA-N
    FDA UNII
    XE349DXL4Q
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-chloro-4-methoxybenzoic acid
    2.1.2 InChI
    InChI=1S/C8H7ClO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)
    2.1.3 InChI Key
    IBCQUQXCTOPJOD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C(C=C1)C(=O)O)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    XE349DXL4Q
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 37908-96-6

    2. 3-chloro-p-anisic Acid

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

    4. Xe349dxl4q

    5. Mfcd00016512

    6. Benzoic Acid, 3-?chloro-?4-?methoxy-

    7. 3-chloro-4-methoxybenzolic Acid

    8. 3-chloro-4-methoxybenzoicacid

    9. Einecs 253-708-9

    10. Unii-xe349dxl4q

    11. Schembl308170

    12. 3-chloro-4-methoxy Benzoic Acid

    13. Dtxsid20191343

    14. Akos000288890

    15. 3-chloro-4-methoxybenzoic Acid, 97%

    16. Cs-w016880

    17. Fs-1527

    18. Am806833

    19. Sy018640

    20. C2550

    21. Ft-0615413

    22. En300-18284

    23. I11253

    24. A823931

    25. Ae-848/06129035

    26. J-512241

    27. Z57790676

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 186.59 g/mol
    Molecular Formula C8H7ClO3
    XLogP32.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area46.5
    Heavy Atom Count12
    Formal Charge0
    Complexity172
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1