2'-Chloroacetophenone

Synopsis, Chemistry

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1 Analytical Solutions

1 Analytical Solutions

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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

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 Formula	C₈H₇ClO
Molecular Weight	154.59 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	154.0185425 g/mol
Monoisotopic Mass	154.0185425 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	133
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