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    Chemistry

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    Also known as: 32446-66-5, 4-(4-cyanobenzoyl)benzonitrile, Benzonitrile, 4,4'-carbonylbis-, P,p'-dicyanobenzophenone, Ldf6vs0md5, Benzonitrile, 4,4'-carbonyldi-
    Molecular Formula
    C15H8N2O
    Molecular Weight
    232.24  g/mol
    InChI Key
    UKOXPTLWNQHMJV-UHFFFAOYSA-N
    FDA UNII
    LDF6VS0MD5
    CAS 32446-66-5
    1 2D Structure

    CAS 32446-66-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(4-cyanobenzoyl)benzonitrile
    2.1.2 InChI
    InChI=1S/C15H8N2O/c16-9-11-1-5-13(6-2-11)15(18)14-7-3-12(10-17)4-8-14/h1-8H
    2.1.3 InChI Key
    UKOXPTLWNQHMJV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C#N)C(=O)C2=CC=C(C=C2)C#N
    2.2 Other Identifiers
    2.2.1 UNII
    LDF6VS0MD5
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 32446-66-5

    2. 4-(4-cyanobenzoyl)benzonitrile

    3. Benzonitrile, 4,4'-carbonylbis-

    4. P,p'-dicyanobenzophenone

    5. Ldf6vs0md5

    6. Benzonitrile, 4,4'-carbonyldi-

    7. Mfcd07367965

    8. 4,4'-carbonyldibenzonitrile

    9. C15h8n2o

    10. Unii-ldf6vs0md5

    11. 4,4'-dicyano-benzophenone

    12. Schembl3433075

    13. Dtxsid50443120

    14. Ukoxptlwnqhmjv-uhfffaoysa-n

    15. Akos005216818

    16. Ab31511

    17. Ac-14356

    18. Ds-14355

    19. Sy256615

    20. Db-031647

    21. Cs-0157592

    22. A913905

    23. 4,4 Inverted Exclamation Mark -carbonyldibenzonitrile

    24. 4,4'-carbonyldibenzonitrile (4,4'-dicyanobenzophenone)

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 232.24 g/mol
    Molecular Formula C15H8N2O
    XLogP33.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area64.6
    Heavy Atom Count18
    Formal Charge0
    Complexity357
    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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