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Also known as: 32807-28-6, Methyl 4-chloro-3-oxobutanoate, Methyl 4-chloro-3-oxo-butanoate, Butanoic acid, 4-chloro-3-oxo-, methyl ester, Methyl 4-chloro-3-oxobutyrate, 4-chloroacetoacetic acid methyl ester
Molecular Formula
C5H7ClO3
Molecular Weight
150.56  g/mol
InChI Key
HFLMYYLFSNEOOT-UHFFFAOYSA-N
FDA UNII
FVC6V863Y2

CAS 32807-28-6
1 2D Structure

CAS 32807-28-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 4-chloro-3-oxobutanoate
2.1.2 InChI
InChI=1S/C5H7ClO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3
2.1.3 InChI Key
HFLMYYLFSNEOOT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(=O)CC(=O)CCl
2.2 Other Identifiers
2.2.1 UNII
FVC6V863Y2
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 32807-28-6

2. Methyl 4-chloro-3-oxobutanoate

3. Methyl 4-chloro-3-oxo-butanoate

4. Butanoic Acid, 4-chloro-3-oxo-, Methyl Ester

5. Methyl 4-chloro-3-oxobutyrate

6. 4-chloroacetoacetic Acid Methyl Ester

7. Methyl-4-chloroacetoacetate

8. Mfcd00000938

9. Acetoacetic Acid, 4-chloro-, Methyl Ester

10. Fvc6v863y2

11. 4-chloro-3-oxobutanoic Acid Methyl Ester

12. Methyl Gamma-chloroacetoacetate

13. Einecs 251-230-5

14. Brn 1759939

15. Methyl Chloroacetoacetate

16. Methyl 4-chloroacetoaceate

17. Methyl 4-chloro-acetoacetate

18. Unii-fvc6v863y2

19. Schembl56154

20. 3-03-00-01207 (beilstein Handbook Reference)

21. Methyl-gamma-chloroacetoacetate

22. Chembl173804

23. Dtxsid0067719

24. Methyl 4-chloro-3-oxo-butyrate

25. Methyl .gamma.-chloroacetoacetate

26. Methyl .omega.-chloroacetoacetate

27. Methyl 4-chloro-3-oxobutanoate #

28. Methyl 4-chloroacetoacetate, 97%

29. Bcp19731

30. Str04472

31. Akos000119618

32. 4-chloro Aceto Acetic Acid Methyl Ester

33. (r)-2-hydroxymethyl-pentanoicacid

34. 4-chloro-3-oxo-butyric Acid Methyl Ester

35. 4-chloro-3-oxobutanoic Acid, Methyl Ester

36. 4-chloro-3-oxobutanoic Acid. Methyl Ester

37. .gamma.-chloroacetoacetic Acid, Methyl Ester

38. Cs-0044248

39. Ft-0618156

40. Methyl 4-chloranyl-3-oxidanylidene-butanoate

41. En300-19679

42. S12341

43. A821427

44. W-106820

45. F0001-0971

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 150.56 g/mol
Molecular Formula C5H7ClO3
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area43.4
Heavy Atom Count9
Formal Charge0
Complexity121
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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