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2D Structure
Also known as: 638-41-5, Amyl chloroformate, Chloroformic acid amyl ester, Pentyl carbonochloridate, Carbonochloridic acid, pentyl ester, N-pentyl chloroformate
Molecular Formula
C6H11ClO2
Molecular Weight
150.60  g/mol
InChI Key
XHRRYUDVWPPWIP-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
pentyl carbonochloridate
2.1.2 InChI
InChI=1S/C6H11ClO2/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3
2.1.3 InChI Key
XHRRYUDVWPPWIP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCOC(=O)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 638-41-5

2. Amyl Chloroformate

3. Chloroformic Acid Amyl Ester

4. Pentyl Carbonochloridate

5. Carbonochloridic Acid, Pentyl Ester

6. N-pentyl Chloroformate

7. Chloroformic Acid N-amyl Ester

8. Formic Acid, Chloro-, Pentyl Ester

9. Chloroformic Acid Pentyl Ester

10. Carbonochloridic Acid Pentyl Ester

11. N-pentylchloroformate

12. Amyl=chloroformate

13. Nsc 7913

14. Einecs 211-336-4

15. N-pcf

16. Pentyl Carbonochloridoate

17. Pentyl Chloridocarbonate #

18. N-pentyl Chloroformate (n-amyl Chloroformate)

19. Unii-uf9vz2uv69

20. Uf9vz2uv69

21. Schembl97024

22. Chloroformic Acid N-pentyl Ester

23. Dtxsid0060933

24. Nsc7913

25. Nsc-7913

26. Zinc1586311

27. Pentyl Chloridocarbonate, Aldrichcpr

28. Mfcd00058933

29. Akos006230581

30. As-10930

31. Db-049800

32. C0587

33. Ft-0654430

34. D89273

35. Sr-01000944789

36. Sr-01000944789-1

37. Q65224146

38. 4-(1h-benzoimidazol-2-yl)-piperazine-1-carboxylicacidtert-butylester

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 150.60 g/mol
Molecular Formula C6H11ClO2
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass150.0447573 g/mol
Monoisotopic Mass150.0447573 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity83.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1