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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

CAS 118289-55-7
1 2D Structure

CAS 118289-55-7

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

BUILDING BLOCK

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