CAS 18997-19-8

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Also known as: 18997-19-8, Chloromethyl 2,2-dimethylpropanoate, Pivaloyloxymethyl chloride, Propanoic acid, 2,2-dimethyl-, chloromethyl ester, Pivalic acid chloromethyl ester, Chloromethyl trimethylacetate

Molecular Formula

C₆H₁₁ClO₂

Molecular Weight

150.60 g/mol

InChI Key

GGRHYQCXXYLUTL-UHFFFAOYSA-N

FDA UNII

ZQU16YZ6MF

1 2D Structure

CAS 18997-19-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

chloromethyl 2,2-dimethylpropanoate

2.1.2 InChI

InChI=1S/C6H11ClO2/c1-6(2,3)5(8)9-4-7/h4H2,1-3H3

2.1.3 InChI Key

GGRHYQCXXYLUTL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)C(=O)OCCl

2.2 Other Identifiers

2.2.1 UNII

ZQU16YZ6MF

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 18997-19-8

2. Chloromethyl 2,2-dimethylpropanoate

3. Pivaloyloxymethyl Chloride

4. Propanoic Acid, 2,2-dimethyl-, Chloromethyl Ester

5. Pivalic Acid Chloromethyl Ester

6. Chloromethyl Trimethylacetate

7. Pom-cl

8. Zqu16yz6mf

9. 18797-19-8

10. 2,2-dimethylpropionic Acid Chloromethyl Ester

11. Chloromethyl 2,2-dimethylpropionate

12. Chloromethyl 2,2-dimethylpropanoate; Chloromethyl 2,2-dimethylpropionate; Chloromethyl Pivalate; Chloromethyl Trimethylacetate

13. Chioromethyl Pivalate

14. Einecs 242-735-1

15. Mfcd00000884

16. Chloromethyl Pivaloate

17. Chloro-methyl Pivalate

18. Pivaloxymethyl Chloride

19. Pivaloyloxymethylchloride

20. Pivalyloxymethyl Chloride

21. Clch2oc(o)cme3

22. Pivalic Acid Chloromethyl

23. Unii-zqu16yz6mf

24. Schembl300

25. Chloromethyl Pivalate, 97%

26. Dtxsid1066445

27. Ggrhyqcxxylutl-uhfffaoysa-

28. Chloromethyl2,2-dimethylpropionate

29. Act05564

30. Zinc2242620

31. Akos006223678

32. Cs-w018522

33. Trimethylacetic Acid Chloromethyl Ester

34. As-19276

35. Db-029580

36. Ft-0623677

37. P1012

38. 2,2-dimethyl-propionic Acid Chloromethyl Ester

39. 2,2-dimethylpropanoic Acid, Chloromethyl Ester

40. D77849

41. ((tert-butylcarbonyl)oxy)methyl Chloride

42. 2-dimethylpropionic Acid Chloromethyl Ester

43. Sr-01000944704

44. (2,2-dimethyl-1-oxopropoxy)methyl Chloride

45. Sr-01000944704-1

46. Q63393271

47. F0001-0685

48. .alpha.,.alpha.-dimethylpropionyloxymethyl Chloride

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₁ClO₂
Molecular Weight	150.60 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	150.0447573 g/mol
Monoisotopic Mass	150.0447573 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	104
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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