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Technical details about Acetoxyacetyl Chloride, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 13831-31-7, 2-chloro-2-oxoethyl acetate, 2-acetoxyacetyl chloride, Acetoxyacetylchloride, Acetyl chloride, (acetyloxy)-, (2-chloro-2-oxoethyl) acetate
Molecular Formula
C4H5ClO3
Molecular Weight
136.53  g/mol
InChI Key
HZDNNJABYXNPPV-UHFFFAOYSA-N
FDA UNII
Z4S19Y2F8S

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2-chloro-2-oxoethyl) acetate
2.1.2 InChI
InChI=1S/C4H5ClO3/c1-3(6)8-2-4(5)7/h2H2,1H3
2.1.3 InChI Key
HZDNNJABYXNPPV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)OCC(=O)Cl
2.2 Other Identifiers
2.2.1 UNII
Z4S19Y2F8S
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 13831-31-7

2. 2-chloro-2-oxoethyl Acetate

3. 2-acetoxyacetyl Chloride

4. Acetoxyacetylchloride

5. Acetyl Chloride, (acetyloxy)-

6. (2-chloro-2-oxoethyl) Acetate

7. Acetoxyacetic Acid Chloride

8. Z4s19y2f8s

9. Acetyl Chloride, 2-(acetyloxy)-

10. Unii-z4s19y2f8s

11. (chlorocarbonyl)methyl Acetate

12. Einecs 237-542-4

13. Acetoxy Acetylchloride

14. Acetoxy Acetyl Chloride

15. Acetyloxyacetyl Chloride

16. (acetyloxy)acetyl Chloride

17. Chloro-2-oxoethyl Acetate

18. Schembl5288

19. Alpha-acetoxy Acetyl Chloride

20. Acetoxyacetyl Chloride, 97%

21. (2-chloro-2-oxo-ethyl)acetate

22. Dtxsid20160579

23. Glycoloyl Chloride, Acetate

24. Albb-013561

25. Amy39424

26. Bcp32585

27. Str08793

28. Zinc2019437

29. Mfcd00011535

30. Acetic Acid Chlorocarbonylmethyl Ester

31. Acetic Acid Chlorocarbonyl-methyl Ester

32. Akos000121009

33. Acetic Acid (2-chloro-2-oxoethyl) Ester

34. Db-042424

35. Bb 0261504

36. Cs-0017872

37. Ft-0621815

38. (2-chloranyl-2-oxidanylidene-ethyl) Ethanoate

39. S12356

40. A807373

41. J-007117

42. J-519534

43. Q27294994

44. F0001-0475

45. 2-chloro-2-oxoethyl Acetate;2-acetoxyacetyl Chloride;acetoxyacetylchloride

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 136.53 g/mol
Molecular Formula C4H5ClO3
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass135.9927217 g/mol
Monoisotopic Mass135.9927217 g/mol
Topological Polar Surface Area43.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity110
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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