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CAS 10226-30-9
PharmaCompass
CAS 10226-30-9
Also known as: 6-chloro-2-hexanone, 10226-30-9, 1-chloro-5-hexanone, 2-hexanone, 6-chloro-, 1-chlorohexan-5-one, 1-chlorohexane-5-one
Molecular Formula
C6H11ClO
Molecular Weight
134.603  g/mol
InChI Key
CMDIDTNMHQUVPE-UHFFFAOYSA-N

1 2D Structure

CAS 10226-30-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-chlorohexan-2-one
2.1.2 InChI
InChI=1S/C6H11ClO/c1-6(8)4-2-3-5-7/h2-5H2,1H3
2.1.3 InChI Key
CMDIDTNMHQUVPE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)CCCCCl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 6-chloro-2-hexanone

2. 10226-30-9

3. 1-chloro-5-hexanone

4. 2-hexanone, 6-chloro-

5. 1-chlorohexan-5-one

6. 1-chlorohexane-5-one

7. 4-chlorobutyl Methyl Ketone

8. Mfcd00191625

9. Chlorohexanone

10. Einecs 233-546-5

11. 1-chloro-hexan-5-one

12. 6-chloro-hexan-2-one

13. 6-chloranylhexan-2-one

14. Ac1q3ulo

15. Ac1q1k5x

16. 6-chloro-2-hexanone,98%

17. 6-chloro-2-hexanone, 97%

18. Ac1l33h4

19. Schembl1115670

20. Jsp000274

21. Ctk0i2836

22. Dtxsid50144847

23. Cmdidtnmhquvpe-uhfffaoysa-n

24. Molport-001-759-789

25. Acmc-209816

26. Albb-025821

27. Zinc2556912

28. Anw-14680

29. Akos000121117

30. Am90172

31. Or10952

32. Rp20174

33. Rtr-000584

34. Tra0085614

35. Vz30702

36. Ks-000016t5

37. Aj-40003

38. Ak114191

39. Kb-45114

40. Or000705

41. Or107371

42. Ab0011094

43. St2418932

44. Tr-000584

45. Ft-0607634

46. R2534

47. 226c309

48. A800551

49. A1-01703

50. I14-0174

51. W-108879

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 134.603 g/mol
Molecular Formula C6H11ClO
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass134.05 g/mol
Monoisotopic Mass134.05 g/mol
Topological Polar Surface Area17.1 A^2
Heavy Atom Count8
Formal Charge0
Complexity70.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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