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    BUILDING BLOCK

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    Chemistry

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    Also known as: 2224-83-1, 4-(p-chlorophenyl)-1h-2,3-benzoxazin-1-one, Nsc303585, 4-(4-chlorophenyl)-1h-2,3-benzoxazin-1-one, 4-(4'-chlorophenyl)-1h-2,3-benzoxazine-1-one, Schembl6271963
    Molecular Formula
    C14H8ClNO2
    Molecular Weight
    257.67  g/mol
    InChI Key
    WFOBHUVYJHLWLG-UHFFFAOYSA-N
    CAS 2224-83-1
    1 2D Structure

    CAS 2224-83-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(4-chlorophenyl)-2,3-benzoxazin-1-one
    2.1.2 InChI
    InChI=1S/C14H8ClNO2/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(17)18-16-13/h1-8H
    2.1.3 InChI Key
    WFOBHUVYJHLWLG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C(=NOC2=O)C3=CC=C(C=C3)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2224-83-1

    2. 4-(p-chlorophenyl)-1h-2,3-benzoxazin-1-one

    3. Nsc303585

    4. 4-(4-chlorophenyl)-1h-2,3-benzoxazin-1-one

    5. 4-(4'-chlorophenyl)-1h-2,3-benzoxazine-1-one

    6. Schembl6271963

    7. Dtxsid80316454

    8. Zinc1567392

    9. Mfcd12913599

    10. Nsc-303585

    11. Ag-670/36994006

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 257.67 g/mol
    Molecular Formula C14H8ClNO2
    XLogP33.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass257.0243562 g/mol
    Monoisotopic Mass257.0243562 g/mol
    Topological Polar Surface Area38.7 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity361
    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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