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2D Structure
Also known as: 107-59-5, Tert-butyl 2-chloroacetate, Chloroacetic acid tert-butyl ester, Acetic acid, chloro-, 1,1-dimethylethyl ester, T-butyl chloroacetate, Acetic acid, chloro-, tert-butyl ester
Molecular Formula
C6H11ClO2
Molecular Weight
150.60  g/mol
InChI Key
KUYMVWXKHQSIAS-UHFFFAOYSA-N
FDA UNII
05TMW98298

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl 2-chloroacetate
2.1.2 InChI
InChI=1S/C6H11ClO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3
2.1.3 InChI Key
KUYMVWXKHQSIAS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)CCl
2.2 Other Identifiers
2.2.1 UNII
05TMW98298
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 107-59-5

2. Tert-butyl 2-chloroacetate

3. Chloroacetic Acid Tert-butyl Ester

4. Acetic Acid, Chloro-, 1,1-dimethylethyl Ester

5. T-butyl Chloroacetate

6. Acetic Acid, Chloro-, Tert-butyl Ester

7. 1,1-dimethylethyl Chloroacetate

8. Chloro-acetic Acid Tert-butyl Ester

9. Nsc-87891

10. 05tmw98298

11. Einecs 203-506-1

12. Mfcd00000930

13. Nsc 87891

14. Tert-butylchloroacetate

15. Ai3-39154

16. Unii-05tmw98298

17. T-butylchloroacetate

18. T-butyl-chloroacetate

19. Chloroacetic Acid T-butyl Ester

20. Tert.butyl Chloroacetate

21. Tert.-butyl Chloroacetate

22. 2-chloroacetic Acid 1,1-dimethylethyl Ester

23. Tert-butyl Monochloroacetate

24. Chloroacetic Acid Tert-butyl

25. Clch2c(o)oc(ch3)3

26. Tert-butyl Alpha-chloroacetate

27. Schembl140252

28. Tert-butyl Chloroacetate, 97%

29. Dtxsid7059351

30. Kuymvwxkhqsias-uhfffaoysa-

31. Chloroacetic Acid-tert-butyl Ester

32. Bcp26835

33. Nsc87891

34. Zinc2015932

35. Ccg-40517

36. Stl185662

37. Tert-butyl Chloroacetate [mi]

38. Akos001358596

39. Chloroacetic Acid 1,1-dimethylethyl Ester

40. Ls-13162

41. Chloroacetic Acid, 1,1-dimethylethyl Ester

42. Db-040768

43. Ft-0623629

44. Acetic Acid, 2-chloro-, 1,1-dimethylethyl Ester

45. W-108742

46. Q27236139

47. F0001-0144

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 150.60 g/mol
Molecular Formula C6H11ClO2
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass150.0447573 g/mol
Monoisotopic Mass150.0447573 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity104
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1