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2D Structure
Also known as: 2142-68-9, 1-(2-chlorophenyl)ethanone, O-chloroacetophenone, 1-(2-chlorophenyl)ethan-1-one, Ethanone, 1-(2-chlorophenyl)-, Acetophenone, 2'-chloro-
Molecular Formula
C8H7ClO
Molecular Weight
154.59  g/mol
InChI Key
ZDOYHCIRUPHUHN-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(2-chlorophenyl)ethanone
2.1.2 InChI
InChI=1S/C8H7ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
2.1.3 InChI Key
ZDOYHCIRUPHUHN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)C1=CC=CC=C1Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2142-68-9

2. 1-(2-chlorophenyl)ethanone

3. O-chloroacetophenone

4. 1-(2-chlorophenyl)ethan-1-one

5. Ethanone, 1-(2-chlorophenyl)-

6. Acetophenone, 2'-chloro-

7. 1-(2-chloro-phenyl)-ethanone

8. O-chloroacetophonone

9. Ethanone, 1-(chlorophenyl)-

10. Ai3-15920

11. Nsc 405474

12. 1-[2-chlorophenyl]ethanone

13. Einecs 218-397-6

14. Mfcd00000560

15. O-chlorobenzoyl Group

16. 2`-chloroacetophenone

17. Brn 1858916

18. Ortho-chloroacetophenone

19. 2'-chloro Acetophenone

20. 2-chlorophenyl Ethanone

21. Ortho-chlorobenzoyl Group

22. 2-chloro-1-acetylbenzene

23. Epitope Id:140118

24. O-chlorophenyl Methyl Ketone

25. 2-chlorophenyl Methyl Ketone

26. Methyl 2-chlorophenyl Ketone

27. Schembl55443

28. 2'-chloroacetophenone, 97%

29. Chembl4633448

30. Dtxsid1062201

31. Chebi:60718

32. Zdoyhciruphuhn-uhfffaoysa-

33. Zinc1598575

34. Nsc405474

35. Stl299676

36. Akos000118936

37. Ac-7849

38. Am84749

39. Cs-w010929

40. Nsc-405474

41. Ps-5480

42. Db-014086

43. Ft-0611899

44. P20606

45. 4-07-00-00638 (beilstein Handbook Reference)

46. A815336

47. W-107556

48. F0001-0766

49. Z1250132546

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 154.59 g/mol
Molecular Formula C8H7ClO
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass154.0185425 g/mol
Monoisotopic Mass154.0185425 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1