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    CAS-50-84-0

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: 50-84-0, Benzoic acid, 2,4-dichloro-, 2,4-dichloro-benzoic acid, 2,4 dichlorobenzoic acid, Chebi:30748, Nsc-578
    Molecular Formula
    C7H4Cl2O2
    Molecular Weight
    191.01  g/mol
    InChI Key
    ATCRIUVQKHMXSH-UHFFFAOYSA-N
    FDA UNII
    0SR0320D45
    2,4-dichlorobenzoic acid is a natural product found in Fischerella ambigua and Apis cerana with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,4-dichlorobenzoic acid
    2.1.2 InChI
    InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
    2.1.3 InChI Key
    ATCRIUVQKHMXSH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1Cl)Cl)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    0SR0320D45
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2,4-dcba

    2.3.2 Depositor-Supplied Synonyms

    1. 50-84-0

    2. Benzoic Acid, 2,4-dichloro-

    3. 2,4-dichloro-benzoic Acid

    4. 2,4 Dichlorobenzoic Acid

    5. Chebi:30748

    6. Nsc-578

    7. Mfcd00002414

    8. 0sr0320d45

    9. 2,4-dichlorobenzoicacid

    10. Nsc 578

    11. Einecs 200-067-8

    12. Brn 1868192

    13. Ai3-14873

    14. Ccris 9472

    15. Unii-0sr0320d45

    16. Wln: Qvr Bg Dg

    17. Dsstox_cid_4977

    18. Bmse000672

    19. C06670

    20. Dsstox_rid_77606

    21. Dsstox_gsid_24977

    22. Schembl111279

    23. Nsc578

    24. Chembl1492029

    25. Dtxsid0024977

    26. 2,4-dichlorobenzoic Acid, 98%

    27. Zinc340730

    28. Str01599

    29. Dichlorobenzoic Acid, 2,4-

    30. Tox21_200756

    31. Stk297837

    32. Akos000119754

    33. Cs-w013226

    34. Ps-4049

    35. Cas-50-84-0

    36. Ncgc00091214-01

    37. Ncgc00091214-02

    38. Ncgc00091214-03

    39. Ncgc00258310-01

    40. Ac-22899

    41. Sy007062

    42. Furosemide Impurity E [ep Impurity]

    43. Am20050123

    44. Bb 0240623

    45. D0337

    46. Ft-0610044

    47. A23852

    48. D77744

    49. Ab01333124-02

    50. Ag-617/02198062

    51. W-105928

    52. Q27104142

    53. Z57127531

    54. F2191-0069

    55. 2,4-dichlorobenzoic Acid, Pestanal(r), Analytical Standard

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 191.01 g/mol
    Molecular Formula C7H4Cl2O2
    XLogP32.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass189.9588348 g/mol
    Monoisotopic Mass189.9588348 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity161
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1