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    CAS 32084-59-6

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    CAS 32084-59-6
    Also known as: 32084-59-6, 6-bromoquinazolin-4(3h)-one, 6-bromo-4-hydroxyquinazoline, 6-bromo-3h-quinazolin-4-one, 6-bromo-4-quinazolone, 6-bromoquinazolin-4(1h)-one
    Molecular Formula
    C8H5BrN2O
    Molecular Weight
    225.04  g/mol
    InChI Key
    OVEISJPVPHWEHR-UHFFFAOYSA-N
    1 2D Structure

    CAS 32084-59-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-bromo-3H-quinazolin-4-one
    2.1.2 InChI
    InChI=1S/C8H5BrN2O/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
    OVEISJPVPHWEHR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C=C1Br)C(=O)NC=N2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 32084-59-6

    2. 6-bromoquinazolin-4(3h)-one

    3. 6-bromo-4-hydroxyquinazoline

    4. 6-bromo-3h-quinazolin-4-one

    5. 6-bromo-4-quinazolone

    6. 6-bromoquinazolin-4(1h)-one

    7. 6-bromo-1h-quinazolin-4-one

    8. 4(1h)-quinazolinone, 6-bromo-

    9. Chembl562488

    10. 6-bromo-3,4-dihydroquinazolin-4-one

    11. 6-bromo-4(3h)-quinazolinone

    12. 6-bromo-3,4-dihydro-4-oxoquinazoline

    13. 4(3h)-quinazolinone, 6-bromo-

    14. Kinome_3257

    15. 6-bromo-4-quinazolinol

    16. 6-bromoquinazolin-4-one

    17. 6-bromo-4-quinazolinone

    18. Maybridge1_006260

    19. Cambridge Id 5585489

    20. Schembl182871

    21. 6-bromo-4-hydroxy-quinazoline

    22. 6-bromo-4(1h)-quinazolinone

    23. 6-bromoquinazoline-4(3h)-one

    24. Hms559e12

    25. Dtxsid00351423

    26. Hms1583h20

    27. Act03903

    28. Albb-024135

    29. Bcp23046

    30. Cs-d1073

    31. Zinc8647743

    32. Ab1142

    33. Bbl029209

    34. Bdbm50414218

    35. Mfcd00115131

    36. Mfcd01219541

    37. Stk929158

    38. Stl382233

    39. Stl511999

    40. 6-bromo-1,4-dihydroquinazolin-4-one

    41. Akos000126969

    42. Akos005659209

    43. Akos022177712

    44. Ab21786

    45. As-3007

    46. Ccg-248929

    47. Fs-2625

    48. Gs-4275

    49. Ps-3451

    50. Am803687

    51. Rh 00197

    52. Sy006403

    53. 6-bromoquinazolin-4(3h)-one, Aldrichcpr

    54. Db-001815

    55. Db-013151

    56. A5772

    57. B4328

    58. Ft-0649965

    59. En300-05116

    60. Sr-01000415022

    61. J-518466

    62. Sr-01000415022-1

    63. Z56893149

    64. F1967-9986

    2.3 Create Date
    2019-01-15
    3 Chemical and Physical Properties
    Molecular Weight 225.04 g/mol
    Molecular Formula C8H5BrN2O
    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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                            N,N-Dimethylformamide Dimethyl Acetal

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                            4637-24-5
                            Lapatinib Ditosylate
                            SLN Pharmachem was setup in 1997 with an objective to provide technology based products (Intermediates) f...
                            SLN Pharmachem was setup in 1997 with an objective to provide technology based products (Intermediates) for Pharmaceutical, Cosmetic and Fine Chemical Industry. SLN Pharmachem is an ISO certified and has its manufacturing unit backed up by professionals who are desirous in manufacturing new, difficult to produce molecules with success to achieve the best quality standards in the international competition.
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                            fermion-oy-2024-05-13

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                            Inke S.A: APIs manufacturing plant.

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