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    CAS 73866-23-6

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    CAS 73866-23-6
    Also known as: 73866-23-6, 5-(2-bromoacetyl)-2-hydroxybenzamide, 5-bromoacetyl salicylamide, 5-(bromoacetyl)-2-hydroxybenzamide, 5-bromoacetyl-2-hydroxybenzamide, Benzamide, 5-(bromoacetyl)-2-hydroxy-
    Molecular Formula
    C9H8BrNO3
    Molecular Weight
    258.07  g/mol
    InChI Key
    VXWSXLSUWGZOHD-UHFFFAOYSA-N
    1 2D Structure

    CAS 73866-23-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-(2-bromoacetyl)-2-hydroxybenzamide
    2.1.2 InChI
    InChI=1S/C9H8BrNO3/c10-4-8(13)5-1-2-7(12)6(3-5)9(11)14/h1-3,12H,4H2,(H2,11,14)
    2.1.3 InChI Key
    VXWSXLSUWGZOHD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1C(=O)CBr)C(=O)N)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 73866-23-6

    2. 5-(2-bromoacetyl)-2-hydroxybenzamide

    3. 5-bromoacetyl Salicylamide

    4. 5-(bromoacetyl)-2-hydroxybenzamide

    5. 5-bromoacetyl-2-hydroxybenzamide

    6. Benzamide, 5-(bromoacetyl)-2-hydroxy-

    7. 5-bromoacetylsalicylamide

    8. Brn 3286223

    9. Einecs 277-626-8

    10. 5-bromoacetylsalicyamide

    11. 5-(bromoacetyl)-salicylamide

    12. 4-10-00-03636 (beilstein Handbook Reference)

    13. Schembl1809513

    14. Amy8807

    15. Dtxsid10995014

    16. Zinc2569277

    17. Mfcd00792456

    18. Akos000121578

    19. 5-bromoacetyl Salicylamide, Aldrichcpr

    20. Cs-w014604

    21. Ac-11001

    22. As-11587

    23. 5-(2-bromanylethanoyl)-2-oxidanyl-benzamide

    24. 5-(2-bromo-1-oxoethyl)-2-hydroxybenzamide

    25. Ft-0620155

    26. H10684

    27. A837946

    28. W-104442

    29. 5-(bromoacetyl)-2-hydroxybenzene-1-carboximidic Acid

    30. F0001-1860

    2.3 Create Date
    2005-07-14
    3 Chemical and Physical Properties
    Molecular Weight 258.07 g/mol
    Molecular Formula C9H8BrNO3
    XLogP31.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass256.96876 g/mol
    Monoisotopic Mass256.96876 g/mol
    Topological Polar Surface Area80.4 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity244
    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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