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    Technical details about CAS 17518-98-8, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 17518-98-8

    BUILDING BLOCK

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    2D Structure
    Also known as: 17518-98-8, 7-bromo-6-chloro-4-quinazolinone, 7-bromo-6-chloroquinazolin-4(3h)-one, 6-chloro-7-bromo-3h-quinazolin-4-one, 7-bromo-6-chloro-1h-quinazolin-4-one, 7-bromo-6-chloro-3,4-dihydroquinazolin-4-one
    Molecular Formula
    C8H4BrClN2O
    Molecular Weight
    259.49  g/mol
    InChI Key
    RFCXXKWROOFQSI-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-bromo-6-chloro-3H-quinazolin-4-one
    2.1.2 InChI
    InChI=1S/C8H4BrClN2O/c9-5-2-7-4(1-6(5)10)8(13)12-3-11-7/h1-3H,(H,11,12,13)
    2.1.3 InChI Key
    RFCXXKWROOFQSI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C2C(=CC(=C1Cl)Br)N=CNC2=O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 17518-98-8

    2. 7-bromo-6-chloro-4-quinazolinone

    3. 7-bromo-6-chloroquinazolin-4(3h)-one

    4. 6-chloro-7-bromo-3h-quinazolin-4-one

    5. 7-bromo-6-chloro-1h-quinazolin-4-one

    6. 7-bromo-6-chloro-3,4-dihydroquinazolin-4-one

    7. 7-bromo-6-chloro-3h-quinazolin-4-one

    8. 4(1h)-quinazolinone, 7-bromo-6-chloro-

    9. Mfcd10000555

    10. 7-bromo-6-chloroquinazolin-4(1h)-one

    11. Schembl10310503

    12. Schembl16636945

    13. Dtxsid80512631

    14. 7-bromo-6-chloroquinazolin-4-ol

    15. 7-bromo-6-chloro-quinazolin-4-ol

    16. Bcp09707

    17. Zinc22053089

    18. Akos015915021

    19. Akos015919910

    20. Cs-w003722

    21. Gs-4261

    22. Pb22397

    23. Ac-30311

    24. Sy007960

    25. Am20030164

    26. C2539

    27. Ft-0650512

    28. 6-chloro-7-bromo-3,4-dihydro-4-quinazolinone

    29. P17046

    30. 518b988

    31. Q-200802

    2.3 Create Date
    2019-01-16
    3 Chemical and Physical Properties
    Molecular Weight 259.49 g/mol
    Molecular Formula C8H4BrClN2O
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass257.91955 g/mol
    Monoisotopic Mass257.91955 g/mol
    Topological Polar Surface Area41.5 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity259
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1