Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 5465-65-6, 1-(4-chloro-3-nitrophenyl)ethanone, 4-chloro-3-nitroacetophenone, Ethanone, 1-(4-chloro-3-nitrophenyl)-, 1-(4-chloro-3-nitrophenyl)ethan-1-one, Acetophenone, 4'-chloro-3'-nitro-
Molecular Formula
C8H6ClNO3
Molecular Weight
199.59  g/mol
InChI Key
YEVPHFIFGUWSMG-UHFFFAOYSA-N
FDA UNII
GKV85F2ZXL

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(4-chloro-3-nitrophenyl)ethanone
2.1.2 InChI
InChI=1S/C8H6ClNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3
2.1.3 InChI Key
YEVPHFIFGUWSMG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
2.2 Other Identifiers
2.2.1 UNII
GKV85F2ZXL
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 5465-65-6

2. 1-(4-chloro-3-nitrophenyl)ethanone

3. 4-chloro-3-nitroacetophenone

4. Ethanone, 1-(4-chloro-3-nitrophenyl)-

5. 1-(4-chloro-3-nitrophenyl)ethan-1-one

6. Acetophenone, 4'-chloro-3'-nitro-

7. Mfcd00007083

8. Gkv85f2zxl

9. 2-chloro-5-acetylnitrobenzene

10. Nsc-25820

11. 4//'-chloro-3//'-nitroacetophenone

12. 1-{4-chloro-3-nitrophenyl}ethanone

13. Einecs 226-769-4

14. Unii-gkv85f2zxl

15. 4-chloro-3'-nitroacetophenone

16. 3'-nitro-4'-chloro Acetophenone

17. 1-acetyl-4-chloro-3-nitrobenzene

18. Nsc25820

19. 4-chloro-3-nitro Acetophenone

20. 3-nitro-4-chloroacetophenone

21. 4-chloro-3-nitriacetophenone

22. Schembl239454

23. Dtxsid0022228

24. Yevphfifguwsmg-uhfffaoysa-

25. Zinc155344

26. 4\'-chloro-3\'-nitroacetophenone

27. Act08115

28. Str00550

29. Nsc 25820

30. Stk359212

31. Akos000119814

32. Ac-3636

33. Am62027

34. Cs-w010500

35. 1-(4-chloro-3-nitrophenyl)ethanone #

36. 3'-nitro-4'-chloroacetophenone

37. 4'-chloro-3'-nitroacetophenone, 99%

38. 1-(4-chloro-3-nitrophenyl)-1-ethanone

39. 4-acetyl-1-chloro-2-nitrobenzene

40. Sy018284

41. Db-052625

42. A7932

43. Ft-0618077

44. I12068

45. Ah-034/32829032

46. Q27279151

47. 4 Inverted Exclamation Mark -chloro-3 Inverted Exclamation Mark -nitroacetophenone

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 199.59 g/mol
Molecular Formula C8H6ClNO3
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass199.0036207 g/mol
Monoisotopic Mass199.0036207 g/mol
Topological Polar Surface Area62.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity226
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1