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    CAS 5807-30-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 5807-30-7, 2-(3,4-dichlorophenyl)acetic acid, (3,4-dichlorophenyl)acetic acid, Benzeneacetic acid, 3,4-dichloro-, 3,4-dichlorobenzene acetic acid, 2-(3,4-dichlorophenyl)ethanoic acid
    Molecular Formula
    C8H6Cl2O2
    Molecular Weight
    205.03  g/mol
    InChI Key
    ZOUPGSMSNQLUNW-UHFFFAOYSA-N
    FDA UNII
    713NZ1A32D
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(3,4-dichlorophenyl)acetic acid
    2.1.2 InChI
    InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12)
    2.1.3 InChI Key
    ZOUPGSMSNQLUNW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1CC(=O)O)Cl)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    713NZ1A32D
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 5807-30-7

    2. 2-(3,4-dichlorophenyl)acetic Acid

    3. (3,4-dichlorophenyl)acetic Acid

    4. Benzeneacetic Acid, 3,4-dichloro-

    5. 3,4-dichlorobenzene Acetic Acid

    6. 2-(3,4-dichlorophenyl)ethanoic Acid

    7. 3,4dichlorophenylaceticacid

    8. 3,4-dichlorophenyl Acetic Acid

    9. Chembl3116309

    10. 713nz1a32d

    11. (3,4-dichloro-phenyl)-acetic Acid

    12. Mfcd00004333

    13. Nsc-132186

    14. 3,4-dichlorophenylaceticacid

    15. Einecs 227-368-7

    16. Nsc 132186

    17. 3,4dichlorophenylacetic Acid

    18. Schembl283587

    19. Unii-713nz1a32d

    20. 3,4-dichlorobenzeneacetic Acid

    21. 3,4-dichlorophenyl-acetic Acid

    22. 3,4-dichloro Phenyl Acetic Acid

    23. Dtxsid70206794

    24. Zinc156509

    25. (3,4-dichloro-phenyl) Acetic Acid

    26. Benzeneacetic Acid,?3,4-dichloro-

    27. Str02969

    28. Bdbm50461996

    29. Nsc132186

    30. Stk428923

    31. 2-(3,4-dichlorophenyl) Acetic Acid

    32. 3,4-dichlorophenylacetic Acid, 98%

    33. Akos000112358

    34. Ac-2903

    35. Cs-w020073

    36. Ncgc00242250-01

    37. Sy003305

    38. Db-021870

    39. Acetic Acid, (3,4-dichlorophenyl)-

    40. Am20060373

    41. D1813

    42. Ft-0614257

    43. 807d307

    44. W-105414

    45. Q27449859

    46. 05r

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 205.03 g/mol
    Molecular Formula C8H6Cl2O2
    XLogP33.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass203.9744848 g/mol
    Monoisotopic Mass203.9744848 g/mol
    Topological Polar Surface Area37.3 Ų
    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