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2D Structure
Also known as: 2719-27-9, Hexahydrobenzoyl chloride, Cyclohexanecarboxylic acid chloride, Chlorocarbonylcyclohexane, Cyclohexanoyl chloride, Cyclohexylcarbonyl chloride
Molecular Formula
C7H11ClO
Molecular Weight
146.61  g/mol
InChI Key
RVOJTCZRIKWHDX-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
cyclohexanecarbonyl chloride
2.1.2 InChI
InChI=1S/C7H11ClO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2
2.1.3 InChI Key
RVOJTCZRIKWHDX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCC(CC1)C(=O)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2719-27-9

2. Hexahydrobenzoyl Chloride

3. Cyclohexanecarboxylic Acid Chloride

4. Chlorocarbonylcyclohexane

5. Cyclohexanoyl Chloride

6. Cyclohexylcarbonyl Chloride

7. Cyclohexanecarbonylchloride

8. Mfcd00001456

9. (chlorocarbonyl)cyclohexane

10. Cyclohexanecarboxylic Acid Chloride; Cyclohexanoic Acid Chloride; Cyclohexanoyl Chloride; Cyclohexylcarbonyl Chloride; Hexahydrobenzoyl Chloride; Nsc 85181

11. Cyclohexane Carbonyl Chloride

12. Cyclohexylcarboxylic Acid Chloride

13. Cyclohexoyl Chloride

14. Einecs 220-322-7

15. Nsc 85181

16. Cyclohexancarbonylchlorid

17. Hexahydrobenzoyl-chloride

18. Cyclohexancarbonyl Chloride

19. Cyclohexanoic Acid Chloride

20. Cyclohexyl Carbonyl Chloride

21. Ec 220-322-7

22. Cyclohexylcarboxylic Chloride

23. Schembl1420

24. 1-cyclohexanecarbonyl Chloride

25. Dtxsid8062608

26. Cyclohexancarboxylic Acid Chloride

27. Cyclohexanecarbonyl Chloride, 98%

28. Bcp24458

29. Cyclohexane Carboxylic Acid Chloride

30. Nsc85181

31. Str00564

32. Zinc1752310

33. Ccg-40557

34. Nsc-85181

35. 3-cyclohexane Carboxylic Acid Chloride

36. Akos000268645

37. Db-047178

38. Ft-0624181

39. A818949

40. W-107125

41. F2190-0021

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 146.61 g/mol
Molecular Formula C7H11ClO
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass146.0498427 g/mol
Monoisotopic Mass146.0498427 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity106
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1