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    Chemistry

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    Also known as: 209911-63-7, 2-[4-(dibromomethyl)phenyl]benzonitrile, 2'-cyano-4-(dibromomethyl)biphenyl, [1,1'-biphenyl]-2-carbonitrile, 4'-(dibromomethyl)-, 4'-(dibromomethyl)[1,1'-biphenyl]-2-carbonitrile, Schembl4938738
    Molecular Formula
    C14H9Br2N
    Molecular Weight
    351.04  g/mol
    InChI Key
    JFOGXCVQPLGLLD-UHFFFAOYSA-N
    CAS 209911-63-7
    1 2D Structure

    CAS 209911-63-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[4-(dibromomethyl)phenyl]benzonitrile
    2.1.2 InChI
    InChI=1S/C14H9Br2N/c15-14(16)11-7-5-10(6-8-11)13-4-2-1-3-12(13)9-17/h1-8,14H
    2.1.3 InChI Key
    JFOGXCVQPLGLLD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)C(Br)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 209911-63-7

    2. 2-[4-(dibromomethyl)phenyl]benzonitrile

    3. 2'-cyano-4-(dibromomethyl)biphenyl

    4. [1,1'-biphenyl]-2-carbonitrile, 4'-(dibromomethyl)-

    5. 4'-(dibromomethyl)[1,1'-biphenyl]-2-carbonitrile

    6. Schembl4938738

    7. 4'-dibromomethyl-2-cyanobiphenyl

    8. Dtxsid40455217

    9. Mfcd20483591

    10. Zinc77286087

    11. 2\'-cyano-4-(dibromomethyl)biphenyl

    12. Ds-6581

    13. 4'-(dibromomethyl)biphenyl-2-carbonitrile

    14. Db-049981

    15. Ft-0665277

    16. C73979

    17. 4-(dibromomethyl)-[1,1-biphenyl]-2-carbonitrile

    18. A879315

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 351.04 g/mol
    Molecular Formula C14H9Br2N
    XLogP34.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass350.90813 g/mol
    Monoisotopic Mass348.91017 g/mol
    Topological Polar Surface Area23.8 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity286
    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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