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    Chemistry

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    Also known as: 33254-88-5, 5-chloroacetylsalicylamide, 5-chloroacetyl salicylamide, 2rmr7rz4w3, Salicylamide, 5-(chloroacetyl)-, Benzamide, 5-(chloroacetyl)-2-hydroxy-
    Molecular Formula
    C9H8ClNO3
    Molecular Weight
    213.62  g/mol
    InChI Key
    JPCLWVZHYTUYON-UHFFFAOYSA-N
    FDA UNII
    2RMR7RZ4W3
    CAS 33254-88-5
    1 2D Structure

    CAS 33254-88-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-(2-chloroacetyl)-2-hydroxybenzamide
    2.1.2 InChI
    InChI=1S/C9H8ClNO3/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
    JPCLWVZHYTUYON-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    2RMR7RZ4W3
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 33254-88-5

    2. 5-chloroacetylsalicylamide

    3. 5-chloroacetyl Salicylamide

    4. 2rmr7rz4w3

    5. Salicylamide, 5-(chloroacetyl)-

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

    7. Benzamide, 5-(2-chloroacetyl)-2-hydroxy-

    8. 5-(2-chloroacetyl)-2-hydroxybenzamide; 5-(chloroacetyl)-salicylamide; 5-(chloroacetyl)-2-hydroxy-benzamide

    2.4 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 213.62 g/mol
    Molecular Formula C9H8ClNO3
    XLogP31.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area80.4
    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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