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    Chemistry

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    Also known as: 142404-69-1, 2-[chloro(4-chlorophenyl)methyl]pyridine, 2-[chloro-(4-chlorophenyl)methyl]pyridine, 2-(4,alpha-dichlorobenzyl)pyridine, Pyridine, 2-[chloro(4-chlorophenyl)methyl]-, Pyridine, 2-(chloro(4-chlorophenyl)methyl)-
    Molecular Formula
    C12H9Cl2N
    Molecular Weight
    238.11  g/mol
    InChI Key
    JJOZASAAOCISAR-UHFFFAOYSA-N
    CAS 142404-69-1
    1 2D Structure

    CAS 142404-69-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[chloro-(4-chlorophenyl)methyl]pyridine
    2.1.2 InChI
    InChI=1S/C12H9Cl2N/c13-10-6-4-9(5-7-10)12(14)11-3-1-2-8-15-11/h1-8,12H
    2.1.3 InChI Key
    JJOZASAAOCISAR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=NC(=C1)C(C2=CC=C(C=C2)Cl)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 142404-69-1

    2. 2-[chloro(4-chlorophenyl)methyl]pyridine

    3. 2-[chloro-(4-chlorophenyl)methyl]pyridine

    4. 2-(4,alpha-dichlorobenzyl)pyridine

    5. Pyridine, 2-[chloro(4-chlorophenyl)methyl]-

    6. Pyridine, 2-(chloro(4-chlorophenyl)methyl)-

    7. Ccris 5988

    8. Schembl14033203

    9. Dtxsid10931432

    10. Cs-b0345

    11. Mfcd08272341

    12. Akos016000210

    13. Ds-0571

    14. 2-[chloro(4-chlorophenyl)methyl]-pyridine

    15. Am20080947

    16. Pyridine,2-[chloro(4-chlorophenyl)methyl]-

    17. 404c691

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 238.11 g/mol
    Molecular Formula C12H9Cl2N
    XLogP33.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass237.0112047 g/mol
    Monoisotopic Mass237.0112047 g/mol
    Topological Polar Surface Area12.9 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity190
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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