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2D Structure
Also known as: 51336-95-9, 2-chloro-1-(3,4-difluoro-phenyl)-ethanone, 2-chloro-3',4'-difluoroacetophenone, 2-chloro-1-(3,4-difluorophenyl)ethan-1-one, 2-chloro-3,4-difluoroacetophenone, A-chloro-3,4-difluoroacetophenone
Molecular Formula
C8H5ClF2O
Molecular Weight
190.57  g/mol
InChI Key
VMEDAWUIKFAFJQ-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-1-(3,4-difluorophenyl)ethanone
2.1.2 InChI
InChI=1S/C8H5ClF2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3H,4H2
2.1.3 InChI Key
VMEDAWUIKFAFJQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1C(=O)CCl)F)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 51336-95-9

2. 2-chloro-1-(3,4-difluoro-phenyl)-ethanone

3. 2-chloro-3',4'-difluoroacetophenone

4. 2-chloro-1-(3,4-difluorophenyl)ethan-1-one

5. 2-chloro-3,4-difluoroacetophenone

6. A-chloro-3,4-difluoroacetophenone

7. Mfcd03966888

8. 2-chloro-1-(3,4-difluoro-phenyl)ethanone

9. Ethanone, 2-chloro-1-(3,4-difluorophenyl)-

10. 3,4-difluorophenacyl Chloride

11. Ec 610-651-8

12. Schembl247898

13. Dtxsid40368434

14. Act12890

15. Bcp30757

16. Cl8638

17. Akos000115684

18. Ac-3612

19. Alpha-chloro-3',4'-difluoroacetophenone

20. As-19970

21. Sy018239

22. 2-chloro-1-(3,4-difluorophenyl) Ethanone

23. Db-006038

24. A7575

25. Am20040597

26. Bb 0253894

27. C3215

28. Cs-0011365

29. Ft-0650897

30. En300-01950

31. Z56891298

32. 2-chloro-1-(3,4-difluorophenyl)ethanone;2-chloro-3',4'-difluoroacetophenone

33. 2-chloro-3 Inverted Exclamation Mark ,4 Inverted Exclamation Mark -difluoroacetophenone

34. 2-chloro-3',4'-difluoroacetophenone Pound>>2-chloro-1-(3,4-difluorophenyl)ethan-1-one

2.3 Create Date
2005-07-15
3 Chemical and Physical Properties
Molecular Weight 190.57 g/mol
Molecular Formula C8H5ClF2O
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area17.1
Heavy Atom Count12
Formal Charge0
Complexity174
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1