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    CAS 207557-35-5

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 207557-35-5, (s)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile, (2s)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile, (s)-1-(2-chloroacetyl)-pyrrolidine-2-carbonitrile, (s)-1-(2-chloro-acetyl)-pyrrolidine-2-carbonitrile, 2-pyrrolidinecarbonitrile, 1-(2-chloroacetyl)-, (2s)-
    Molecular Formula
    C7H9ClN2O
    Molecular Weight
    172.61  g/mol
    InChI Key
    YCWRPKBYQZOLCD-LURJTMIESA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile
    2.1.2 InChI
    InChI=1S/C7H9ClN2O/c8-4-7(11)10-3-1-2-6(10)5-9/h6H,1-4H2/t6-/m0/s1
    2.1.3 InChI Key
    YCWRPKBYQZOLCD-LURJTMIESA-N
    2.1.4 Canonical SMILES
    C1CC(N(C1)C(=O)CCl)C#N
    2.1.5 Isomeric SMILES
    C1C[C@H](N(C1)C(=O)CCl)C#N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 207557-35-5

    2. (s)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile

    3. (2s)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile

    4. (s)-1-(2-chloroacetyl)-pyrrolidine-2-carbonitrile

    5. (s)-1-(2-chloro-acetyl)-pyrrolidine-2-carbonitrile

    6. 2-pyrrolidinecarbonitrile, 1-(2-chloroacetyl)-, (2s)-

    7. 2-pyrrolidinecarbonitrile, 1-(chloroacetyl)-, (2s)-

    8. (2s)-1-(chloroacetyl)pyrrolidine-2-carbonitrile

    9. (2s)-1-(2-chloroacetyl)-2-9-pyrrolidinecarbonitrile

    10. Mfcd08689902

    11. Schembl605418

    12. Dtxsid00454201

    13. Act04998

    14. Cs-d1786

    15. Zinc16697477

    16. Akos006291018

    17. Akos016015838

    18. Ac-8547

    19. (2s)-n-chloroacetyl-2-cyanopyrrolidine

    20. Ds-13426

    21. Db-009115

    22. Am20090696

    23. 1-(chloroacetyl)pyrrolidine-2alpha-carbonitrile

    24. (s)-1-(chloroacetyl)-2-pyrrolidinecarbonitrile

    25. 1-(2-chloroacetyl)pyrrolidine-2-(s)-carbonitrile

    26. 557c355

    27. A814859

    28. (s)-1-(2'-chloroacetyl)pyrrolidine-2-carbonitrile

    29. (s)-1-(2-chloro-acetyl)pyrrolidine-2-carbonitrile

    30. Q-200012

    31. 1-(2-chloroacetyl)pyrrolidine-2-carbonitrile;(s)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 172.61 g/mol
    Molecular Formula C7H9ClN2O
    XLogP30.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass172.0403406 g/mol
    Monoisotopic Mass172.0403406 g/mol
    Topological Polar Surface Area44.1 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity208
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1