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    CAS 6575-24-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 6575-24-2, 2-(2,6-dichlorophenyl)acetic acid, Benzeneacetic acid, 2,6-dichloro-, (2,6-dichlorophenyl)acetic acid, 2,6-dichlorophenylaceticacid, 2,6-dichloro benzeneacetic acid
    Molecular Formula
    C8H6Cl2O2
    Molecular Weight
    205.03  g/mol
    InChI Key
    SFAILOOQFZNOAU-UHFFFAOYSA-N
    FDA UNII
    K8G025CX8W
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(2,6-dichlorophenyl)acetic acid
    2.1.2 InChI
    InChI=1S/C8H6Cl2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
    2.1.3 InChI Key
    SFAILOOQFZNOAU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C(=C1)Cl)CC(=O)O)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    K8G025CX8W
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 6575-24-2

    2. 2-(2,6-dichlorophenyl)acetic Acid

    3. Benzeneacetic Acid, 2,6-dichloro-

    4. (2,6-dichlorophenyl)acetic Acid

    5. 2,6-dichlorophenylaceticacid

    6. 2,6-dichloro Benzeneacetic Acid

    7. 2,6-dichlorophenyl Acetic Acid

    8. Einecs 229-504-0

    9. 2,6-dichlorobenzeneacetic Acid

    10. Chembl240293

    11. K8g025cx8w

    12. Mfcd00004320

    13. Unii-k8g025cx8w

    14. 2cl

    15. Schembl109215

    16. Dtxsid1041633

    17. Bdbm16429

    18. Zinc388514

    19. (2,6-dichloro-phenyl)-acetic Acid

    20. 2,6-dichlorophenylacieticacid

    21. Stk428921

    22. 2,6-dichlorophenylacetic Acid, 97%

    23. Akos000119460

    24. Ac-2737

    25. Am62271

    26. Cs-w015390

    27. Pb43231

    28. As-10862

    29. Dichlorobenzeneacetic Acid, 2,6-

    30. Sy002771

    31. Db-020186

    32. Acetic Acid, (2,6-dichlorophenyl)-

    33. D1897

    34. Ft-0610624

    35. 575d242

    36. W-104786

    37. Q27282086

    38. Z219997492

    39. 2-(2,6-dichlorophenyl)acetic Acid;2,6-dichlorophenylacetic Acid

    40. 3-benzyl-4-oxo-3,4-dihydro-phthalazine-1-carboxylicacid

    2.4 Create Date
    2005-07-09
    3 Chemical and Physical Properties
    Molecular Weight 205.03 g/mol
    Molecular Formula C8H6Cl2O2
    XLogP32.6
    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
    Complexity162
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1