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CAS 204205-33-4
Also known as: 204205-33-4, 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone, Ethanone, 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)-, 2-bromo-1-cyclopropyl-2-(2-fluoro-phenyl)-ethanone, Mfcd11977644, 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethan-1-one
Molecular Formula
C11H10BrFO
Molecular Weight
257.10  g/mol
InChI Key
LMCZCCDXOZGIND-UHFFFAOYSA-N

1 2D Structure

CAS 204205-33-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
2.1.2 InChI
InChI=1S/C11H10BrFO/c12-10(11(14)7-5-6-7)8-3-1-2-4-9(8)13/h1-4,7,10H,5-6H2
2.1.3 InChI Key
LMCZCCDXOZGIND-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC1C(=O)C(C2=CC=CC=C2F)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 204205-33-4

2. 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone

3. Ethanone, 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)-

4. 2-bromo-1-cyclopropyl-2-(2-fluoro-phenyl)-ethanone

5. Mfcd11977644

6. 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethan-1-one

7. 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)-ethanone

8. Schembl242256

9. Dtxsid60634062

10. Bcp11003

11. Akos015854297

12. Sb35193

13. Ac-22646

14. As-11428

15. Cyclopropyl Carbonyl-2-fluorobenzylbromide

16. Sy067317

17. Db-027830

18. Am20090723

19. B6031

20. Ft-0649302

21. Alpha-cyclopropylcarbonyl-2-fluorobenzylbromide

22. Alpha-cyclopropylcarbonyl-2-fluorobenzyl Bromide

23. 2-bromo-2-(2-fluorophenyl)-1-cyclopropylethanon

24. 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)-etanon

25. 2-bromo-1-cyclopropyl-2-(2-fluorphenyl)-ethanon

26. 2-bromo-1-cyclopropyl-2-(2-fluorophenyl) Ethanone

27. 2-bromo-2-(2-fluorophenyl)-1-cyclopropyl-ethanone

28. J-508185

29. 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)-?ethanone

30. Ethanone,2-bromo-1-cyclopropyl-2-(2-fluorophenyl)-

2.3 Create Date
2007-12-06
3 Chemical and Physical Properties
Molecular Weight 257.10 g/mol
Molecular Formula C11H10BrFO
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass255.98991 g/mol
Monoisotopic Mass255.98991 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity227
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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