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    BUILDING BLOCK

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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

    BUILDING BLOCK

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