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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

CAS 1132832-75-7
1 2D Structure

CAS 1132832-75-7

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

BUILDING BLOCK

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