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    CAS 118307-04-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 118307-04-3, 6-chloro-5-(2-chloroacetyl)indolin-2-one, 6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one, 5-chloroacetyl-6-chloro-1,3-dihydroindol-2h-indone-2-one, 6-chloro-5-(chloroacetyl)-1,3-dihydro-2h-indol-2-one, 5-chloroacetyl-6-chloro-1,3-dihydro-2h-indole-2-one
    Molecular Formula
    C10H7Cl2NO2
    Molecular Weight
    244.07  g/mol
    InChI Key
    LWWVMDRRHHCTMZ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one
    2.1.2 InChI
    InChI=1S/C10H7Cl2NO2/c11-4-9(14)6-1-5-2-10(15)13-8(5)3-7(6)12/h1,3H,2,4H2,(H,13,15)
    2.1.3 InChI Key
    LWWVMDRRHHCTMZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C2=CC(=C(C=C2NC1=O)Cl)C(=O)CCl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 118307-04-3

    2. 6-chloro-5-(2-chloroacetyl)indolin-2-one

    3. 6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one

    4. 5-chloroacetyl-6-chloro-1,3-dihydroindol-2h-indone-2-one

    5. 6-chloro-5-(chloroacetyl)-1,3-dihydro-2h-indol-2-one

    6. 5-chloroacetyl-6-chloro-1,3-dihydro-2h-indole-2-one

    7. 2h-indol-2-one, 6-chloro-5-(chloroacetyl)-1,3-dihydro-

    8. 6-chloro-5-(2-chloro-acetyl)-1,3-dihydro-indol-2-one

    9. Schembl622063

    10. 5-cloroacetyl-6-chlorooxindole

    11. 6-chloro-5-(chloro Acetyl)-1-,3-dihydro-2h-indol-2-one

    12. Dtxsid60395646

    13. Bcp19226

    14. Zinc2527714

    15. Bbl010823

    16. Mfcd04115735

    17. Stk628800

    18. 5-(2-chloroacetyl)-6-chlorooxindole

    19. Akos005561611

    20. Ab20497

    21. 5-(2-chloro Acetyl)-6-chloro Oxindole

    22. 5-(2-chloro Acetyl) -6-chloro Oxindole

    23. Ac-23359

    24. Vs-02698

    25. Cs-0054239

    26. Ft-0642888

    27. 5-(2-chloroacetyl)-6-chloro-2-oxindole

    28. 307c043

    29. A803907

    30. J-003735

    31. J-518578

    32. 5-(1-oxo-2-chloroethyl)-6-chloro-1h-indole-2(3h)-one

    33. 6-chloro-5-(2-chloroacetyl)-2,3-dihydro-1h-indol-2-one

    34. 6-chloro-5-(chloroacetyl)-1,3-dihydro-2h-indol-2-one, Aldrichcpr

    2.3 Create Date
    2005-09-10
    3 Chemical and Physical Properties
    Molecular Weight 244.07 g/mol
    Molecular Formula C10H7Cl2NO2
    XLogP31.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass242.9853839 g/mol
    Monoisotopic Mass242.9853839 g/mol
    Topological Polar Surface Area46.2 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity295
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1