2-chlorophenyl cyclopentyl ketone; o-chlorophenyl cyclopentyl ketone

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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

CAS 6740-85-8

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 Formula	C₁₂H₁₃ClO
Molecular Weight	208.68 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	208.0654927 g/mol
Monoisotopic Mass	208.0654927 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	208
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

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