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Also known as: 91714-50-0, 7-(4-bromobenzoyl)indole, (4-bromophenyl)-(1h-indol-7-yl)methanone, (4-bromo-phenyl)-(1h-indol-7-yl)-methanone, Methanone, (4-bromophenyl)-1h-indol-7-yl-, Sk5zl5zp93
Molecular Formula
C15H10BrNO
Molecular Weight
300.15  g/mol
InChI Key
RNXKQFMCSXIADL-UHFFFAOYSA-N
FDA UNII
SK5ZL5ZP93

CAS 91714-50-0
1 2D Structure

CAS 91714-50-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4-bromophenyl)-(1H-indol-7-yl)methanone
2.1.2 InChI
InChI=1S/C15H10BrNO/c16-12-6-4-11(5-7-12)15(18)13-3-1-2-10-8-9-17-14(10)13/h1-9,17H
2.1.3 InChI Key
RNXKQFMCSXIADL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C(=C1)C(=O)C3=CC=C(C=C3)Br)NC=C2
2.2 Other Identifiers
2.2.1 UNII
SK5ZL5ZP93
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 91714-50-0

2. 7-(4-bromobenzoyl)indole

3. (4-bromophenyl)-(1h-indol-7-yl)methanone

4. (4-bromo-phenyl)-(1h-indol-7-yl)-methanone

5. Methanone, (4-bromophenyl)-1h-indol-7-yl-

6. Sk5zl5zp93

7. (4-bromophenyl)-1h-indol-7-ylmethanone

8. 7-[(4-bromophenyl)carbonyl]-1h-indole

9. Unii-sk5zl5zp93

10. Schembl9141346

11. Dtxsid30451889

12. Bcp29809

13. Mfcd08694391

14. Akos000280116

15. Bs-41899

16. Cs-0315393

17. Ft-0700958

18. F17828

19. A860252

20. Bromfenac Sodium Impurity 5;(4-bromo-phenyl)-(1h-indol-7-yl)-methanone;(4-bromophenyl)(1h-indol-7-yl)methanone

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 300.15 g/mol
Molecular Formula C15H10BrNO
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area32.9
Heavy Atom Count18
Formal Charge0
Complexity312
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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