CAS 118307-04-3

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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

CAS 118307-04-3

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 Formula	C₁₀H₇Cl₂NO₂
Molecular Weight	244.07 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	242.9853839 g/mol
Monoisotopic Mass	242.9853839 g/mol
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	295
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