CAS 91714-50-0

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Chemistry

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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

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 Formula	C₁₅H₁₀BrNO
Molecular Weight	300.15 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	32.9
Heavy Atom Count	18
Formal Charge	0
Complexity	312
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