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    CAS-4752-10-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 4752-10-7, Phthalazine, 1,4-dichloro-, 1,4-dichloro-phthalazine, 0ow60266ko, Mfcd00006909, Ccris 6799
    Molecular Formula
    C8H4Cl2N2
    Molecular Weight
    199.03  g/mol
    InChI Key
    ODCNAEMHGMYADO-UHFFFAOYSA-N
    FDA UNII
    0OW60266KO
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,4-dichlorophthalazine
    2.1.2 InChI
    InChI=1S/C8H4Cl2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H
    2.1.3 InChI Key
    ODCNAEMHGMYADO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C(=NN=C2Cl)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    0OW60266KO
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 4752-10-7

    2. Phthalazine, 1,4-dichloro-

    3. 1,4-dichloro-phthalazine

    4. 0ow60266ko

    5. Mfcd00006909

    6. Ccris 6799

    7. 1,4-dichlorophtalazine

    8. Dichlorophthalazine

    9. Einecs 225-275-6

    10. 1,4-dichloropthalazine

    11. 1,4-dichorophthalazine

    12. 1,4 Dichlorophthalazine

    13. 1.4-dichlorophthalazine

    14. Dsstox_cid_29162

    15. Dsstox_rid_83381

    16. Dsstox_gsid_49306

    17. Schembl345211

    18. Unii-0ow60266ko

    19. 1,4-dichlorophthalazine, 95%

    20. Chembl3185198

    21. Dtxsid1049306

    22. Zinc39640

    23. Act09269

    24. Bcp27059

    25. Tox21_202959

    26. Stl368740

    27. Akos002665045

    28. Ac-5102

    29. Cs-w010520

    30. Sb10525

    31. Ncgc00260505-01

    32. As-11330

    33. Sy007673

    34. Cas-4752-10-7

    35. Db-005642

    36. Am20050450

    37. Bb 0258785

    38. D3749

    39. Ft-0635427

    40. 752d107

    41. W-106070

    42. Q27237051

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 199.03 g/mol
    Molecular Formula C8H4Cl2N2
    XLogP33.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass197.9751535 g/mol
    Monoisotopic Mass197.9751535 g/mol
    Topological Polar Surface Area25.8 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity147
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1