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 Formula	C₁₈H₁₂BrFOS
Molecular Weight	375.3 g/mol
XLogP3	6.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	373.97763 g/mol
Monoisotopic Mass	373.97763 g/mol
Topological Polar Surface Area	45.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	397
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

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CAS 1132832-75-7

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