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    CAS 545445-10-1

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    CAS 545445-10-1
    Also known as: 545445-10-1, 2-piperidinone, 3,3-dichloro-1-(4-iodophenyl)-, 3,3-dichloro-1-(4-iodophenyl)-piperidin-2-one, 3,3-dichloro-1-(4-iodophenyl)-2-piperidinone, Schembl1919626, Dtxsid00625156
    Molecular Formula
    C11H10Cl2INO
    Molecular Weight
    370.01  g/mol
    InChI Key
    JVLADMOFJQGIIN-UHFFFAOYSA-N
    1 2D Structure

    CAS 545445-10-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,3-dichloro-1-(4-iodophenyl)piperidin-2-one
    2.1.2 InChI
    InChI=1S/C11H10Cl2INO/c12-11(13)6-1-7-15(10(11)16)9-4-2-8(14)3-5-9/h2-5H,1,6-7H2
    2.1.3 InChI Key
    JVLADMOFJQGIIN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC(C(=O)N(C1)C2=CC=C(C=C2)I)(Cl)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 545445-10-1

    2. 2-piperidinone, 3,3-dichloro-1-(4-iodophenyl)-

    3. 3,3-dichloro-1-(4-iodophenyl)-piperidin-2-one

    4. 3,3-dichloro-1-(4-iodophenyl)-2-piperidinone

    5. Schembl1919626

    6. Dtxsid00625156

    7. Cs-m2279

    8. Vwa44510

    9. Zinc89228487

    10. Akos027295290

    11. Cs-14599

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 370.01 g/mol
    Molecular Formula C11H10Cl2INO
    XLogP33.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass368.91842 g/mol
    Monoisotopic Mass368.91842 g/mol
    Topological Polar Surface Area20.3 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity277
    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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