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    Chemistry

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    Also known as: 356783-28-3, 3,6-difluoro-2-pyrazinecarbonitrile, Mfcd22199270, 2-pyrazinecarbonitrile,3,6-difluoro-, Ampz0001, Schembl1338236
    Molecular Formula
    C5HF2N3
    Molecular Weight
    141.08  g/mol
    InChI Key
    ONECIHYIQJRNTP-UHFFFAOYSA-N
    CAS 356783-28-3
    1 2D Structure

    CAS 356783-28-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,6-difluoropyrazine-2-carbonitrile
    2.1.2 InChI
    InChI=1S/C5HF2N3/c6-4-2-9-5(7)3(1-8)10-4/h2H
    2.1.3 InChI Key
    ONECIHYIQJRNTP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(N=C(C(=N1)F)C#N)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 356783-28-3

    2. 3,6-difluoro-2-pyrazinecarbonitrile

    3. Mfcd22199270

    4. 2-pyrazinecarbonitrile,3,6-difluoro-

    5. Ampz0001

    6. Schembl1338236

    7. Dtxsid00627392

    8. Bcp28347

    9. Zinc77011405

    10. Akos005166866

    11. Am85411

    12. Ac-33289

    13. As-47169

    14. Sy239763

    15. Cs-0000095

    16. Ft-0686296

    17. F12442

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 141.08 g/mol
    Molecular Formula C5HF2N3
    XLogP30.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count0
    Exact Mass141.01385337 g/mol
    Monoisotopic Mass141.01385337 g/mol
    Topological Polar Surface Area49.6 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity164
    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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