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    Technical details about CAS 3438-16-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 3438-16-2

    Manufacturers/Suppliers

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as: 3438-16-2, 5-chloro-o-anisic acid, 5-chloro-2-methoxy-benzoic acid, Benzoic acid, 5-chloro-2-methoxy-, 5-chloro-2-methoxybenzoicacid, Mfcd00017546
    Molecular Formula
    C8H7ClO3
    Molecular Weight
    186.59  g/mol
    InChI Key
    HULDRQRKKXRXBI-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

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

    1. 3438-16-2

    2. 5-chloro-o-anisic Acid

    3. 5-chloro-2-methoxy-benzoic Acid

    4. Benzoic Acid, 5-chloro-2-methoxy-

    5. 5-chloro-2-methoxybenzoicacid

    6. Mfcd00017546

    7. 5-chloro-2-methoxy-benzoicacid-13c,d3

    8. 2-methoxy-5-chlorobenzoic Acid

    9. 5-chloro-2-anisic Acid

    10. Einecs 222-343-7

    11. 5-chloro-methoxybenzoic Acid

    12. Schembl48961

    13. Dtxsid80187949

    14. 5-chloro-2-(methyloxy)benzoic Acid

    15. Ck2307

    16. Stl164312

    17. Akos000112227

    18. 5-chloro-2-methoxybenzoic Acid, 99%

    19. Cs-w016879

    20. Fs-3182

    21. Ac-23552

    22. Sy013488

    23. Db-011445

    24. Am20060318

    25. Ns00029650

    26. En300-20735

    27. W-106739

    28. F0211-0007

    29. Z104480402

    30. Tert-butyl4-(4-iodophenyl)tetrahydro-1(2h)-pyrazinecarboxylate

    31. Inchi=1/c8h7clo3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4h,1h3,(h,10,11

    2.3 Create Date
    2005-03-27
    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
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