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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

CAS 2719-27-9
1 2D Structure

CAS 2719-27-9

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

BUILDING BLOCK

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