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    CAS 16064-08-7

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    CAS 16064-08-7
    Also known as: 16064-08-7, 6-iodoquinazolin-4-ol, 6-iodo-3h-quinazolin-4-one, 6-iodoquinazolin-4(3h)-one, 4-hydroxy-6-iodoquinazoline, 6-iodo-4-hydroxyquinazoline
    Molecular Formula
    C8H5IN2O
    Molecular Weight
    272.04  g/mol
    InChI Key
    PUGXMZKDRVGIHC-UHFFFAOYSA-N
    1 2D Structure

    CAS 16064-08-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-iodo-3H-quinazolin-4-one
    2.1.2 InChI
    InChI=1S/C8H5IN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)
    2.1.3 InChI Key
    PUGXMZKDRVGIHC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C=C1I)C(=O)NC=N2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 16064-08-7

    2. 6-iodoquinazolin-4-ol

    3. 6-iodo-3h-quinazolin-4-one

    4. 6-iodoquinazolin-4(3h)-one

    5. 4-hydroxy-6-iodoquinazoline

    6. 6-iodo-4-hydroxyquinazoline

    7. 6-iodo-4-quinazolinol

    8. 6-iodo-1h-quinazolin-4-one

    9. 6-iodo-4(3h)-quinazolinone

    10. 4(1h)-quinazolinone, 6-iodo-

    11. 6-iodo-4-quinazolinone

    12. Chembl1949845

    13. Mfcd00195324

    14. 4(3h)-quinazolinone, 6-iodo-

    15. 6-iodo-4(1h)-quinazolinone

    16. 6-iodo-quinazolin-4-ol

    17. 6-iodo-3,4-dihydroquinazolin-4-one

    18. 6-iodoquinazolin-4(1h)-one

    19. 6-iodo-3-hydroquinazolin-4-one

    20. 6-iodoquinazolinone

    21. 6-iodo4-quinazolinone

    22. 6-iodoquinazoline-4-ol

    23. Cbdive_001584

    24. Schembl216175

    25. 6-iodoquinazoline-4(1h)-one

    26. Dtxsid30354109

    27. Albb-024234

    28. Bcp24733

    29. Zinc5687386

    30. Bdbm50365139

    31. Akos000540866

    32. Akos015888615

    33. Akos025243109

    34. Ac-1002

    35. Cs-w012362

    36. Pb18488

    37. Ss-4903

    38. Sy028895

    39. Db-002078

    40. Am20090791

    41. Eu-0066806

    42. Ft-0655953

    43. I0832

    44. En300-76889

    45. A18262

    46. P10122

    47. Ag-205/05210062

    48. Sr-01000389718

    49. Sr-01000389718-1

    50. 6-iodoquinazolin-4(1h)-one;4-hydroxy-6-iodoquinazoline

    51. Z1192058307

    52. 2307738-66-3

    2.3 Create Date
    2019-01-15
    3 Chemical and Physical Properties
    Molecular Weight 272.04 g/mol
    Molecular Formula C8H5IN2O
    XLogP31.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area41.5
    Heavy Atom Count12
    Formal Charge0
    Complexity229
    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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