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    Technical details about 85-56-3, learn more about the structure, uses, toxicity, action, side effects and more

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    85-56-3

    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: 85-56-3, Benzoic acid, 2-(4-chlorobenzoyl)-, O-(p-chlorobenzoyl)benzoic acid, 2-(4'-chlorobenzoyl)benzoic acid, 2-(p-chlorobenzoyl)benzoic acid, O-(4-chlorobenzoyl)benzoic acid
    Molecular Formula
    C14H9ClO3
    Molecular Weight
    260.67  g/mol
    InChI Key
    YWECCEXWKFHHQJ-UHFFFAOYSA-N
    FDA UNII
    3U7W4YOY3R
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(4-chlorobenzoyl)benzoic acid
    2.1.2 InChI
    InChI=1S/C14H9ClO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)
    2.1.3 InChI Key
    YWECCEXWKFHHQJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    3U7W4YOY3R
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 85-56-3

    2. Benzoic Acid, 2-(4-chlorobenzoyl)-

    3. O-(p-chlorobenzoyl)benzoic Acid

    4. 2-(4'-chlorobenzoyl)benzoic Acid

    5. 2-(p-chlorobenzoyl)benzoic Acid

    6. O-(4-chlorobenzoyl)benzoic Acid

    7. Benzoic Acid, O-(p-chlorobenzoyl)-

    8. 4'-chlorobenzophenone-2-carboxylic Acid

    9. 3u7w4yoy3r

    10. Chembl81936

    11. Nsc 7825

    12. Nsc-7825

    13. 2-(4-chloro-benzoyl)-benzoic Acid

    14. Einecs 201-615-9

    15. Mfcd00002474

    16. 2-[(4-chlorophenyl)carbonyl]benzoic Acid

    17. Ai3-15224

    18. 60839-51-2

    19. P-chlorobenzoylbenzoic Acid

    20. Unii-3u7w4yoy3r

    21. 4-chlorobenzoylbenzoic Acid

    22. Oprea1_123398

    23. 2-(4-chlorbenzoyl)benzoesyre

    24. Mls000776970

    25. Schembl1247787

    26. 0-(p-chlorobenzoyl)benzoic Acid

    27. Dtxsid1058927

    28. Niosh/dg4976790

    29. Nsc7825

    30. 2-(p-chlorobenzoyl) Benzoic Acid

    31. O-(4-chlorobenzoyl)-benzoic Acid

    32. 2-(4-chlorobenzoyl) Benzoic Acid

    33. 2-(4-chlorobenzoyl)-benzoic Acid

    34. Benzoic Acid, (4-chlorobenzoyl)-

    35. Hms2770e11

    36. Amy38296

    37. 2-(4/'-chlorobenzoyl)benzoic Acid

    38. Ac1414

    39. Bbl010294

    40. Bdbm50129030

    41. Stk366819

    42. Akos000119017

    43. Cs-w009453

    44. 2-(4-chlorobenzoyl)benzoic Acid, 98%

    45. Ncgc00246436-01

    46. Ac-10729

    47. As-17258

    48. Ls-36404

    49. Smr000413365

    50. Sy007527

    51. 1-carboxy-2-(4-chlorophenylcarbonyl)benzene

    52. Dg49767900

    53. Ft-0608605

    54. En300-19298

    55. 4-chlorobenzophenone-2'-carboxylic Acid

    56. A841364

    57. W-104078

    58. Q27258040

    59. Z104473452

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 260.67 g/mol
    Molecular Formula C14H9ClO3
    XLogP33.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area54.4
    Heavy Atom Count18
    Formal Charge0
    Complexity321
    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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