CAS 99365-40-9

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Also known as: 99365-40-9, 6-bromoindolin-2-one, 6-bromo-2-oxindole, 6-bromo-1,3-dihydro-2h-indol-2-one, 6-bromo-1,3-dihydroindol-2-one, 6-bromo-1,3-dihydro-indol-2-one

Molecular Formula

C₈H₆BrNO

Molecular Weight

212.04 g/mol

InChI Key

JARRYVQFBQVOBE-UHFFFAOYSA-N

1 2D Structure

CAS 99365-40-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-bromo-1,3-dihydroindol-2-one

2.1.2 InChI

InChI=1S/C8H6BrNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)

2.1.3 InChI Key

JARRYVQFBQVOBE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C2=C(C=C(C=C2)Br)NC1=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 99365-40-9

2. 6-bromoindolin-2-one

3. 6-bromo-2-oxindole

4. 6-bromo-1,3-dihydro-2h-indol-2-one

5. 6-bromo-1,3-dihydroindol-2-one

6. 6-bromo-1,3-dihydro-indol-2-one

7. 6-bromooxindol

8. 6-bromo-2-oxyindole

9. 6-bromo-2-indolinone

10. 6-bromo-2,3-dihydro-1h-indol-2-one

11. 2h-indol-2-one, 6-bromo-1,3-dihydro-

12. Chembl2381492

13. Mfcd02179605

14. 6-bromoxindole

15. 6-bromoindolinone

16. 6-bromo-oxindole

17. 6-bromo-2 Oxindole

18. Schembl19982

19. 6-bromo-2-oxoindole

20. 6-bromo-2-oxindole, 97%

21. 6-bromo-2-oxoindoline

22. Dtxsid90378341

23. 4k60

24. Act02488

25. Bcp26407

26. Zinc2577874

27. Bbl102683

28. Bdbm50434121

29. Stl556488

30. Akos005258781

31. 6-bromo-1,2-dihydro-2h-indol-2-one

32. Cs-w008941

33. Fs-2852

34. Pb24760

35. 6- Bromo-1,3-dihydro-2h-indol-2-one

36. 6-bromoindole-2-one;6-bromo-2-oxindole

37. Am804635

38. Sy004439

39. Db-007138

40. B3601

41. Ft-0601184

42. 365b409

43. Q-102630

44. Q27452315

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₈H₆BrNO
Molecular Weight	212.04 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	210.96328 g/mol
Monoisotopic Mass	210.96328 g/mol
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	183
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

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