CAS 32807-28-6

Chemistry, 2 End Use API, 40 Related Intermediates

Manufacturers/Suppliers

2 Suppliers

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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

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 Formula	C₅H₇ClO₃
Molecular Weight	150.56 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	43.4
Heavy Atom Count	9
Formal Charge	0
Complexity	121
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