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2D Structure
Also known as: 3-chloropropiophenone, 936-59-4, Propiophenone, 3-chloro-, 2-chloroethyl phenyl ketone, Omega-chloropropiophenone, Nsc 37238
Molecular Formula
C9H9ClO
Molecular Weight
168.62  g/mol
InChI Key
KTJRGPZVSKWRTJ-UHFFFAOYSA-N
FDA UNII
WBZ9Q23H2T

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-chloro-1-phenylpropan-1-one
2.1.2 InChI
InChI=1S/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
2.1.3 InChI Key
KTJRGPZVSKWRTJ-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
WBZ9Q23H2T
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3-chloro-1-phenylpropan-1-one

2.3.2 Depositor-Supplied Synonyms

1. 3-chloropropiophenone

2. 936-59-4

3. Propiophenone, 3-chloro-

4. 2-chloroethyl Phenyl Ketone

5. Omega-chloropropiophenone

6. Nsc 37238

7. Beta-chloroethyl Phenyl Ketone

8. Nsc 227202

9. Einecs 213-317-6

10. Dtxsid5061324

11. Dtxcid7048877

12. 3-chloro-1-phenylpropan-1-one

13. 3-chloro-1-phenyl-1-propanone

14. Beta-chloropropiophenone

15. 3-chloropropanophenone

16. 3-chloro-1-phenyl-propan-1-one

17. .beta.-chloropropiophenone

18. .omega.-chloropropiophenone

19. Wbz9q23h2t

20. .beta.-chloroethyl Phenyl Ketone

21. 1-propanone,3-chloropropiophenone

22. Mfcd00000990

23. Nsc-37238

24. Nsc-227202

25. Ss-chloropropiophenone

26. 3- Chloropropiophenone

27. 3-chloro-propiophenone

28. 2-benzoylethyl Chloride

29. Unii-wbz9q23h2t

30. 3-chloropropiophenone, 98%

31. Beta-chloroethyl-phenyl Ketone

32. Schembl116339

33. 1-phenyl-3-chloro-1-propanone

34. Ktjrgpzvskwrtj-uhfffaoysa-

35. Chebi:232113

36. Nsc37238

37. Str00737

38. Ac-258

39. Nsc227202

40. Stl490264

41. 3-chloropropiophenone, Technical Grade

42. Akos000321268

43. Fc37510

44. Pd055585

45. Sy004650

46. Db-057418

47. Hy-107857

48. Cs-0030740

49. Ns00039580

50. En300-66662

51. F0001-2252

52. Z1065610596

53. ß-chloropropiophenone, 3-chloro-1-phenyl-1-propanone

54. Inchi=1/c9h9clo/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5h,6-7h2

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 168.62 g/mol
Molecular Formula C9H9ClO
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area17.1
Heavy Atom Count11
Formal Charge0
Complexity128
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1