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Chemistry

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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

Acetoxyacetyl Chloride
1 2D Structure

Acetoxyacetyl Chloride

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

API Reference Price

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21-Jan-2021
22-Jul-2024
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