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    Chemistry

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    Also known as: 41270-66-0, 2,3-diphenyl-5-chloropyrazine, 2-chloro-5,6-diphenylpyrazine, Mfcd00234892, Schembl383762, Amy243
    Molecular Formula
    C16H11ClN2
    Molecular Weight
    266.72  g/mol
    InChI Key
    VUGNCPVAXWZTOL-UHFFFAOYSA-N
    CAS 41270-66-0
    1 2D Structure

    CAS 41270-66-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-chloro-2,3-diphenylpyrazine
    2.1.2 InChI
    InChI=1S/C16H11ClN2/c17-14-11-18-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-11H
    2.1.3 InChI Key
    VUGNCPVAXWZTOL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C2=NC=C(N=C2C3=CC=CC=C3)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 41270-66-0

    2. 2,3-diphenyl-5-chloropyrazine

    3. 2-chloro-5,6-diphenylpyrazine

    4. Mfcd00234892

    5. Schembl383762

    6. Amy243

    7. Dtxsid40394713

    8. Bcp14488

    9. Cs-m3068

    10. Zinc19801057

    11. Akos016011827

    12. Ds-7038

    13. Ac-29196

    14. Sy055821

    15. Ac-907/25005304

    2.3 Create Date
    2005-09-09
    3 Chemical and Physical Properties
    Molecular Weight 266.72 g/mol
    Molecular Formula C16H11ClN2
    XLogP34.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass266.0610761 g/mol
    Monoisotopic Mass266.0610761 g/mol
    Topological Polar Surface Area25.8 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity272
    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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