cyclohexancarboxylic acid chloride

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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

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 Formula	C₇H₁₁ClO
Molecular Weight	146.61 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	146.0498427 g/mol
Monoisotopic Mass	146.0498427 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	106
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