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2D Structure
Also known as: Cetyl chloride, 4860-03-1, Hexadecyl chloride, Hexadecane, 1-chloro-, N-hexadecyl chloride, Palmityl chloride
Molecular Formula
C16H33Cl
Molecular Weight
260.9  g/mol
InChI Key
CLWAXFZCVYJLLM-UHFFFAOYSA-N
FDA UNII
WQ5ZKS3EK3

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-chlorohexadecane
2.1.2 InChI
InChI=1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
2.1.3 InChI Key
CLWAXFZCVYJLLM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCCCCCCCCCCCCCl
2.2 Other Identifiers
2.2.1 UNII
WQ5ZKS3EK3
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Cetyl Chloride

2. 4860-03-1

3. Hexadecyl Chloride

4. Hexadecane, 1-chloro-

5. N-hexadecyl Chloride

6. Palmityl Chloride

7. 1-chloro-hexadecane

8. 1-hexadecyl Chloride

9. Wq5zks3ek3

10. Dtxsid3027580

11. Nsc-43727

12. Nsc-57106

13. Chloro Hexadecane

14. Unii-wq5zks3ek3

15. 1-chlorohexadecane, 95%

16. Nciopen2_002284

17. Schembl437217

18. Dtxcid107580

19. Chembl3184566

20. Nsc43727

21. Nsc57106

22. Einecs 225-461-7

23. Tox21_202749

24. Mfcd00000959

25. Nsc 57106

26. Zinc60117143

27. Akos009031446

28. Cs-w012500

29. Ncgc00260297-01

30. Cas-4860-03-1

31. Db-050393

32. Ft-0623575

33. 1-chlorohexadecane, Purum, >=97.0% (gc)

34. En300-19716

35. A827568

36. J-520013

37. Q27292774

2.3.2 Other Synonyms

1. 4860-03-1

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 260.9 g/mol
Molecular Formula C16H33Cl
XLogP39
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count14
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area0
Heavy Atom Count17
Formal Charge0
Complexity123
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1