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    BUILDING BLOCK

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    Chemistry

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    Also known as: 1184581-58-5, Schembl16689759, Dtxsid401021023, Mfcd31720296, Zinc37587682, 4-[(3,5-dichlorobenzoyl)amino]-3-hydroxy-benzoic acid
    Molecular Formula
    C14H9Cl2NO4
    Molecular Weight
    326.1  g/mol
    InChI Key
    RGISOLFSSBPMSO-UHFFFAOYSA-N
    CAS 1184581-58-5
    1 2D Structure

    CAS 1184581-58-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid
    2.1.2 InChI
    InChI=1S/C14H9Cl2NO4/c15-9-3-8(4-10(16)6-9)13(19)17-11-2-1-7(14(20)21)5-12(11)18/h1-6,18H,(H,17,19)(H,20,21)
    2.1.3 InChI Key
    RGISOLFSSBPMSO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1C(=O)O)O)NC(=O)C2=CC(=CC(=C2)Cl)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1184581-58-5

    2. Schembl16689759

    3. Dtxsid401021023

    4. Mfcd31720296

    5. Zinc37587682

    6. 4-[(3,5-dichlorobenzoyl)amino]-3-hydroxy-benzoic Acid

    7. Benzoic Acid, 4-[(3,5-dichlorobenzoyl)amino]-3-hydroxy-

    2.3 Create Date
    2012-10-19
    3 Chemical and Physical Properties
    Molecular Weight 326.1 g/mol
    Molecular Formula C14H9Cl2NO4
    XLogP33.2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass324.9908632 g/mol
    Monoisotopic Mass324.9908632 g/mol
    Topological Polar Surface Area86.6 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity396
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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