AM20060209

Synopsis, Chemistry

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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

AM20060209

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 Formula	C₈H₆BrN
Molecular Weight	196.04 g/mol
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	194.96836 g/mol
Monoisotopic Mass	194.96836 g/mol
Topological Polar Surface Area	15.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	126
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