Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 7-bromo-1h-indole, 51417-51-7, 1h-indole, 7-bromo-, 7-bromo-indole, Mfcd00799492, 7-bromoindol
Molecular Formula
C8H6BrN
Molecular Weight
196.04  g/mol
InChI Key
RDSVSEFWZUWZHW-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
7-bromo-1H-indole
2.1.2 InChI
InChI=1S/C8H6BrN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H
2.1.3 InChI Key
RDSVSEFWZUWZHW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C(=C1)Br)NC=C2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 7-bromo-1h-indole

2. 51417-51-7

3. 1h-indole, 7-bromo-

4. 7-bromo-indole

5. Mfcd00799492

6. 7-bromoindol

7. 7-brom-1h-indole

8. 7-bromoindole, 96%

9. Bidd:gt0121

10. Schembl445281

11. Dtxsid30373698

12. Zinc403203

13. Act02474

14. Bcp00953

15. Akos005206885

16. Ac-5107

17. Cs-w002687

18. Ms-1993

19. Pb29115

20. Sy013868

21. Db-007199

22. Am20060208

23. B2873

24. Ft-0601377

25. B-8450

26. 417b517

27. F1905-7199

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 196.04 g/mol
Molecular Formula C8H6BrN
XLogP33.5
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