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2D Structure
Also known as: 1132832-75-7, 2-(5-bromo-2-methylbenzoyl)-5-(4-fluorophenyl)thiophene, (5-bromo-2-methylphenyl)[5-(4-fluorophenyl)-2-thienyl]methanone, 6wu245t9gp, (5-bromo-2-methylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone, (5-bromo-2-methylphenyl)(5-(4-fluorophenyl)-2-thienyl)methanone
Molecular Formula
C18H12BrFOS
Molecular Weight
375.3  g/mol
InChI Key
DSNLQVKYUASMTN-UHFFFAOYSA-N
FDA UNII
6WU245T9GP

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(5-bromo-2-methylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone
2.1.2 InChI
InChI=1S/C18H12BrFOS/c1-11-2-5-13(19)10-15(11)18(21)17-9-8-16(22-17)12-3-6-14(20)7-4-12/h2-10H,1H3
2.1.3 InChI Key
DSNLQVKYUASMTN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=C(C=C1)Br)C(=O)C2=CC=C(S2)C3=CC=C(C=C3)F
2.2 Other Identifiers
2.2.1 UNII
6WU245T9GP
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1132832-75-7

2. 2-(5-bromo-2-methylbenzoyl)-5-(4-fluorophenyl)thiophene

3. (5-bromo-2-methylphenyl)[5-(4-fluorophenyl)-2-thienyl]methanone

4. 6wu245t9gp

5. (5-bromo-2-methylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone

6. (5-bromo-2-methylphenyl)(5-(4-fluorophenyl)-2-thienyl)methanone

7. (5-bromo-2-methylphenyl)-(5-(4-fluorophenyl)thiophen-2-yl)methanone

8. Methanone, (5-bromo-2-methylphenyl)(5-(4-fluorophenyl)-2-thienyl)-

9. Unii-6wu245t9gp

10. Schembl4115063

11. Bcp11192

12. Cs-m2132

13. Ex-a2756

14. Mfcd25977368

15. Zinc95933545

16. Akos022186154

17. Ac-26983

18. Cs-13216

19. Db-092434

20. F13039

21. A907407

22. (4-bromo-2-methylphenyl)(5-(4-fluorophenyl)thiophen-2-yl)methanone

23. (5-bromo-2-methylphenyl)[5-(4-fluorophenyl)-2-thienyl]- Methanone

2.4 Create Date
2010-11-01
3 Chemical and Physical Properties
Molecular Weight 375.3 g/mol
Molecular Formula C18H12BrFOS
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass373.97763 g/mol
Monoisotopic Mass373.97763 g/mol
Topological Polar Surface Area45.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity397
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1