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2D Structure
Also known as: 6740-85-8, (2-chlorophenyl)(cyclopentyl)methanone, (2-chlorophenyl)-cyclopentylmethanone, O-chlorophenyl cyclopentyl ketone, 2-chlorobenzoylcyclopentane, Methanone, (2-chlorophenyl)cyclopentyl-
Molecular Formula
C12H13ClO
Molecular Weight
208.68  g/mol
InChI Key
QIJMMRNZBJHXRI-UHFFFAOYSA-N
FDA UNII
AEU83T8UK8

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2-chlorophenyl)-cyclopentylmethanone
2.1.2 InChI
InChI=1S/C12H13ClO/c13-11-8-4-3-7-10(11)12(14)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2
2.1.3 InChI Key
QIJMMRNZBJHXRI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCC(C1)C(=O)C2=CC=CC=C2Cl
2.2 Other Identifiers
2.2.1 UNII
AEU83T8UK8
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 6740-85-8

2. (2-chlorophenyl)(cyclopentyl)methanone

3. (2-chlorophenyl)-cyclopentylmethanone

4. O-chlorophenyl Cyclopentyl Ketone

5. 2-chlorobenzoylcyclopentane

6. Methanone, (2-chlorophenyl)cyclopentyl-

7. Aeu83t8uk8

8. Mfcd00038367

9. (2-chlorophenyl)-cyclopentylketone

10. Einecs 229-802-0

11. Unii-aeu83t8uk8

12. Ec 229-802-0

13. 0-chlorphenylcyclopentylketone

14. 2-chlorophenylcyclopentylketone

15. Schembl3389632

16. 1-(2-chlorobenzoyl)cyclopentane

17. O-chlorphenyl Cyclopentyl Ketone

18. 0-chlorphenyl Cyclopentyl Ketone

19. (2-chlorophenyl)cyclopentylketone

20. Dtxsid00217757

21. (2-chlorophenyl)cyclopentyl Ketone

22. Zinc156578

23. Bcp24666

24. Akos005217004

25. Cyclopentyl O-chlorophenyl Ketone

26. (2-chlorophenyl)(cyclopentyl)methanone #

27. As-42165

28. (2-chlorophenyl)cyclopentylmethanone

29. Db-055026

30. 740c858

31. W-104716

32. 2-chlorophenyl Cyclopentyl Ketone; O-chlorophenyl Cyclopentyl Ketone

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 208.68 g/mol
Molecular Formula C12H13ClO
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass208.0654927 g/mol
Monoisotopic Mass208.0654927 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity208
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1