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    CAS 118289-55-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 118289-55-7, 5-chloroethyl-6-chloro-1,3-dihydro-2h-indole-2-one, 6-chloro-5-(2-chloroethyl)-1,3-dihydro-2h-indol-2-one, 6-chloro-5-(2-chloroethyl)oxindole, 6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one, 5-chloroethyl-6-chloro-1,3-dihydro-1h-indol-2-one
    Molecular Formula
    C10H9Cl2NO
    Molecular Weight
    230.09  g/mol
    InChI Key
    ZTQQXEPZEYIVDK-UHFFFAOYSA-N
    FDA UNII
    ZT4R5S724X
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one
    2.1.2 InChI
    InChI=1S/C10H9Cl2NO/c11-2-1-6-3-7-4-10(14)13-9(7)5-8(6)12/h3,5H,1-2,4H2,(H,13,14)
    2.1.3 InChI Key
    ZTQQXEPZEYIVDK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C2=CC(=C(C=C2NC1=O)Cl)CCCl
    2.2 Other Identifiers
    2.2.1 UNII
    ZT4R5S724X
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 118289-55-7

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

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

    4. 6-chloro-5-(2-chloroethyl)oxindole

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

    6. 5-chloroethyl-6-chloro-1,3-dihydro-1h-indol-2-one

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

    8. 5-(2-chloroethyl)-6-chlorooxindole

    9. Zt4r5s724x

    10. Ziprasidone Impurity F (5-(2-chloroethyl)-6-chlorooxindole)

    11. 6-chloro-5-(2-chloroethyl)-2-indolinone

    12. Ec 421-320-0

    13. Unii-zt4r5s724x

    14. Schembl623364

    15. Dtxsid50442471

    16. Bcp11915

    17. Zinc2524898

    18. Bbl029977

    19. Mfcd03411598

    20. Stl373352

    21. Zb1472

    22. 6-chloro-5-(2-chloroethyl)-1,3

    23. 5-(2-chloroethyl)-6-chloro Oxindole

    24. 5-(2-chloroethyl)-6-chloro-oxindole

    25. 6-chloro-5-(2-chloroethyl) Oxindole

    26. Akos015889238

    27. Ab14169

    28. Ac-5337

    29. Cs-w010382

    30. 5-(2-chloro Ethyl)-6-chloro Oxindole

    31. 5-(2-chloroethyl) -6-chloro Oxindole

    32. As-11846

    33. 5-(2-chloroethyl)-6-chloroindoline-2-one

    34. 5-chloroethyl-6-chloroindole-2-one

    35. Bb 0258985

    36. Ft-0642887

    37. 5-(2-chloro Ethyl)-6-chlorooxindole

    38. 6-chloro-5-(2-chloroethyl)-2h-indol-2-one

    39. A22730

    40. F14939

    41. 289c557

    42. 5-chloroethyl-6-chloro-1,3-dihydro-indol-2-one

    43. 6-chloro-5-(2-chloroethyl)-2-oxoindoline

    44. J-509563

    45. 6-chloro-5-(2-chloro-ethyl)- 1,3-dihydro-indol-2-one

    46. 6-chloro-5-(2-chloro-ethyl)-1,3-dihydro-indol-2-one

    47. (6-chloro-5-(2-chloroethyl)-1,3-dihydro-2h-indol-2-one)

    48. 2h-indol-2-one,6-chloro-5-(2-chloroethyl)-1,3-dihydro-

    49. 5-(2-chloroethyl)-6-chloro-1,3-dihydro-2h-indol-2-one

    50. 6-chloro-5-(2-chloroethyl)-1,3-dihydro-2h-indole-2-one

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 230.09 g/mol
    Molecular Formula C10H9Cl2NO
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass229.0061193 g/mol
    Monoisotopic Mass229.0061193 g/mol
    Topological Polar Surface Area29.1 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity234
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1