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2D Structure
Also known as: 10075-50-0, 5-bromo-1h-indole, 1h-indole, 5-bromo-, 5-bromo indole, Mfcd00005670, 5-bromo-indole
Molecular Formula
C8H6BrN
Molecular Weight
196.04  g/mol
InChI Key
VXWVFZFZYXOBTA-UHFFFAOYSA-N
FDA UNII
R8FGF42R4A

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-bromo-1H-indole
2.1.2 InChI
InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
2.1.3 InChI Key
VXWVFZFZYXOBTA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=CN2)C=C1Br
2.2 Other Identifiers
2.2.1 UNII
R8FGF42R4A
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 10075-50-0

2. 5-bromo-1h-indole

3. 1h-indole, 5-bromo-

4. 5-bromo Indole

5. Mfcd00005670

6. 5-bromo-indole

7. 5-bromanyl-1~{h}-indole

8. R8fgf42r4a

9. Chembl325917

10. Nsc-75581

11. 5bromoindole

12. H4n

13. Nsc75581

14. Einecs 233-208-7

15. Nsc 75581

16. 5-bromo 1h Indole

17. 5-bromoindole, 99%

18. 5-bromo-1h-indole #

19. Maybridge1_006195

20. Unii-r8fgf42r4a

21. Nciopen2_000472

22. Schembl74304

23. Bidd:gt0232

24. Ambz0191

25. Dtxsid6073996

26. Hms559b13

27. Zinc81120

28. Act02545

29. Albb-021314

30. Bcp26677

31. Cs-d0617

32. Bbl013012

33. Bdbm50358747

34. Ccg-42502

35. Geo-00480

36. S5439

37. Stk249656

38. Akos000120596

39. Ab00482

40. Ac-1348

41. Fs-1805

42. Sb40564

43. 220310-64-5

44. Hy-30236

45. Sy005268

46. Db-012391

47. Am20060209

48. Ft-0620159

49. Ft-0620160

50. 75b500

51. B-8420

52. B-8424

53. Sr-01000632498-1

54. F8881-6102

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 196.04 g/mol
Molecular Formula C8H6BrN
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass194.96836 g/mol
Monoisotopic Mass194.96836 g/mol
Topological Polar Surface Area15.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity126
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1