CAS 118289-55-7

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Chemistry

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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

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 Formula	C₁₀H₉Cl₂NO
Molecular Weight	230.09 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	229.0061193 g/mol
Monoisotopic Mass	229.0061193 g/mol
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	234
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1