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    CAS 2224-83-1

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    CAS 2224-83-1
    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
    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
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