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CAS 10226-30-9 manufacturers and suppliers on PharmaCompass

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CAS 10226-30-9
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

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
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