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Also known as: 6-chloro-2-hexanone, 10226-30-9, 1-chloro-5-hexanone, 2-hexanone, 6-chloro-, 4-chlorobutyl methyl ketone, 1-chlorohexan-5-one
Molecular Formula
C6H11ClO
Molecular Weight
134.60  g/mol
InChI Key
CMDIDTNMHQUVPE-UHFFFAOYSA-N

CAS 10226-30-9
1 2D Structure

CAS 10226-30-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-chlorohexan-2-one
2.1.2 InChI
InChI=1S/C6H11ClO/c1-6(8)4-2-3-5-7/h2-5H2,1H3
2.1.3 InChI Key
CMDIDTNMHQUVPE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)CCCCCl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 6-chloro-2-hexanone

2. 10226-30-9

3. 1-chloro-5-hexanone

4. 2-hexanone, 6-chloro-

5. 4-chlorobutyl Methyl Ketone

6. 1-chlorohexan-5-one

7. Einecs 233-546-5

8. Mfcd00191625

9. 1-chloro-hexan-5-one

10. 6-chloro-hexan-2-one

11. 6-chloro-2-hexanone, 97%

12. Schembl1115670

13. Dtxsid50144847

14. Albb-025821

15. Zinc2556912

16. Akos000121117

17. Am90172

18. Cs-w013363

19. As-57600

20. Ft-0607634

21. D89394

22. 226c309

23. A800551

24. A1-01703

25. W-108879

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 134.60 g/mol
Molecular Formula C6H11ClO
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass134.0498427 g/mol
Monoisotopic Mass134.0498427 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity70.9
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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