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    CAS-33924-48-0

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    CAS-33924-48-0
    Also known as: 33924-48-0, Methyl 5-chloro-o-anisate, Benzoic acid, 5-chloro-2-methoxy-, methyl ester, 5-chloro-2-methoxybenzoic acid methyl ester, Methyl-5-chloro-2-methoxybenzoate, Methyl 5-chloro-2-methoxy-d3-benzoate
    Molecular Formula
    C9H9ClO3
    Molecular Weight
    200.62  g/mol
    InChI Key
    HPTHYBXMNNGQEF-UHFFFAOYSA-N
    FDA UNII
    AU3X59V4WD
    1 2D Structure

    CAS-33924-48-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 5-chloro-2-methoxybenzoate
    2.1.2 InChI
    InChI=1S/C9H9ClO3/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5H,1-2H3
    2.1.3 InChI Key
    HPTHYBXMNNGQEF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C(C=C1)Cl)C(=O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    AU3X59V4WD
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 33924-48-0

    2. Methyl 5-chloro-o-anisate

    3. Benzoic Acid, 5-chloro-2-methoxy-, Methyl Ester

    4. 5-chloro-2-methoxybenzoic Acid Methyl Ester

    5. Methyl-5-chloro-2-methoxybenzoate

    6. Methyl 5-chloro-2-methoxy-d3-benzoate

    7. 4-chloro-2-(methoxycarbonyl)anisole

    8. Methyl 5-choro-2-methoxybenzoate

    9. Mfcd00017511

    10. 1219803-33-4

    11. Dtxsid8057720

    12. 5-chloro-2-methoxy-benzoicacidmethylester-13c2,d6

    13. Methyl5-chloro-2-methoxybenzoate

    14. Einecs 251-743-4

    15. 5-chloro-o-anisic Acid Methyl Ester

    16. 5-chloro-2-methoxy-benzoic Acid Methyl Ester

    17. Au3x59v4wd

    18. Schembl1095516

    19. Chembl3188482

    20. Dtxcid5031509

    21. Methyl 5-chloro-2-methoxy-benzoate

    22. Tox21_113805

    23. Akos000120261

    24. Cs-w015589

    25. Ncgc00253681-01

    26. As-61401

    27. Methyl 5-chloro-2-methoxybenzoate, 98%

    28. Sy048291

    29. Cas-33924-48-0

    30. Db-048527

    31. Ns00029571

    32. En300-15445

    33. D89410

    34. A822001

    35. Sr-01000944765

    36. Sr-01000944765-1

    37. W-106762

    38. Brd-k98822077-001-01-1

    39. Z16189275

    40. Inchi=1/c9h9clo3/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5h,1-2h

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 200.62 g/mol
    Molecular Formula C9H9ClO3
    XLogP33.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area35.5
    Heavy Atom Count13
    Formal Charge0
    Complexity184
    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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