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    CAS 4876-10-2

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 4876-10-2, 4-(bromomethyl)quinolin-2(1h)-one, 4-bromomethyl-1,2-dihydroquinolin-2-one, 4-(bromomethyl)-1h-quinolin-2-one, 4-bromomethyl-2(1h)-quinolinone, 4-(bromomethyl)-2(1h)-quinolinone
    Molecular Formula
    C10H8BrNO
    Molecular Weight
    238.08  g/mol
    InChI Key
    BBAHJCUCNVVEQU-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(bromomethyl)-1H-quinolin-2-one
    2.1.2 InChI
    InChI=1S/C10H8BrNO/c11-6-7-5-10(13)12-9-4-2-1-3-8(7)9/h1-5H,6H2,(H,12,13)
    2.1.3 InChI Key
    BBAHJCUCNVVEQU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C(=CC(=O)N2)CBr
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 4876-10-2

    2. 4-(bromomethyl)quinolin-2(1h)-one

    3. 4-bromomethyl-1,2-dihydroquinolin-2-one

    4. 4-(bromomethyl)-1h-quinolin-2-one

    5. 4-bromomethyl-2(1h)-quinolinone

    6. 4-(bromomethyl)-2(1h)-quinolinone

    7. 2(1h)-quinolinone, 4-(bromomethyl)-

    8. 4-bromomethyl-1h-quinolin-2-one

    9. Mfcd03426152

    10. Nsc108455

    11. 4-bromomethylquinolinon

    12. 4-bromomethylcarbostyril

    13. 4-bromomethyl Carbostyril

    14. 4-(bromomethyl)carbostyril

    15. 4-(bromomethyl)-2-quinolinol

    16. Schembl4045859

    17. Schembl11341944

    18. 2-hydroxy-4-bromomethylquinoline

    19. 4-bromomethyl-2-hydroxyquinoline

    20. Dtxsid60296245

    21. Albb-025961

    22. Amy32591

    23. Cs-m3370

    24. Zinc8649184

    25. Akos000369765

    26. Ac-7774

    27. Ds-1133

    28. Nsc-108455

    29. Sb71439

    30. Db-010857

    31. 4-(bromomethyl)-1,2-dihydroquinolin-2-one

    32. B3345

    33. Ft-0635469

    34. 4-(bromomethyl)-2(1h)-quinolinone, Aldrichcpr

    35. 876b102

    36. 876h102

    37. A827600

    38. J-513659

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 238.08 g/mol
    Molecular Formula C10H8BrNO
    XLogP31.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass236.97893 g/mol
    Monoisotopic Mass236.97893 g/mol
    Topological Polar Surface Area29.1 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity249
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1