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    Chemistry

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    Also known as: 356783-16-9, Mfcd22199269, 3,6-dichloro-2-pyrazinecarbonitrile, Schembl1338461, Dtxsid60627393, Amy25213
    Molecular Formula
    C5HCl2N3
    Molecular Weight
    173.98  g/mol
    InChI Key
    UZHXXRRBFJSFCV-UHFFFAOYSA-N
    CAS 356783-16-9
    1 2D Structure

    CAS 356783-16-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,6-dichloropyrazine-2-carbonitrile
    2.1.2 InChI
    InChI=1S/C5HCl2N3/c6-4-2-9-5(7)3(1-8)10-4/h2H
    2.1.3 InChI Key
    UZHXXRRBFJSFCV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(N=C(C(=N1)Cl)C#N)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 356783-16-9

    2. Mfcd22199269

    3. 3,6-dichloro-2-pyrazinecarbonitrile

    4. Schembl1338461

    5. Dtxsid60627393

    6. Amy25213

    7. Bcp32173

    8. Cs-m1937

    9. Zinc77011400

    10. 2-pyrazinecarbonitrile,3,6-dichloro-

    11. Akos005166865

    12. Ds-3490

    13. Pb48805

    14. Sy029032

    15. Db-117083

    16. Ft-0686295

    17. A874545

    18. 3,6-dichloro-2-pyrazinecarbonitrile;2-pyrazinecarbonitrile, 3,6-dichloro-

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 173.98 g/mol
    Molecular Formula C5HCl2N3
    XLogP31.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass172.9547524 g/mol
    Monoisotopic Mass172.9547524 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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