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2D Structure
Also known as: Crotonyl chloride, Crotonoyl chloride, 625-35-4, 10487-71-5, (e)-2-butenoyl chloride, (e)-but-2-enoyl chloride
Molecular Formula
C4H5ClO
Molecular Weight
104.53  g/mol
InChI Key
RJUIDDKTATZJFE-NSCUHMNNSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(E)-but-2-enoyl chloride
2.1.2 InChI
InChI=1S/C4H5ClO/c1-2-3-4(5)6/h2-3H,1H3/b3-2+
2.1.3 InChI Key
RJUIDDKTATZJFE-NSCUHMNNSA-N
2.1.4 Canonical SMILES
CC=CC(=O)Cl
2.1.5 Isomeric SMILES
C/C=C/C(=O)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Crotonyl Chloride

2. Crotonoyl Chloride

3. 625-35-4

4. 10487-71-5

5. (e)-2-butenoyl Chloride

6. (e)-but-2-enoyl Chloride

7. Crotonic Acid Chloride

8. Trans-crotonyl Chloride

9. (2e)-but-2-enoyl Chloride

10. 2-butenoyl Chloride, (2e)-

11. Crotonoyl Chloride (e)-

12. (2e)-2-butenoyl Chloride

13. 2-butenoyl Chloride, (e)-

14. (2e)-2-butenoyl Chloride #

15. Mfcd00000734

16. Trans-2-butenoyl Chloride

17. But-2-enoylchloride

18. (e)-crotonoyl Chloride

19. Crotonoylchloride

20. Einecs 210-889-9

21. Einecs 234-010-3

22. 2-crotonoyl Chloride

23. (e)-crotonyl Chloride

24. Trans-crotonoyl Chloride

25. 2-butenoic Acid Chloride

26. (e)-ch3ch=chcocl

27. Schembl245655

28. Schembl245656

29. Crotonyl Chloride, Tech. 90%

30. Dtxsid201314046

31. Zinc2242606

32. Bbl011366

33. Stl146463

34. Akos005720906

35. Crotonoyl Chloride, Technical Grade, 90%

36. Vs-02929

37. Crotonoyl Chloride, Technical, >=90% (gc)

38. D78102

39. F20351

40. A833831

41. (e)-2-butenoyl Chloride(stabilized With Hq)

42. Q1141616

43. 8-(benzyloxy)-imidazo[1,5-a]pyridine, Hydrochloride

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 104.53 g/mol
Molecular Formula C4H5ClO
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass104.0028925 g/mol
Monoisotopic Mass104.0028925 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count6
Formal Charge0
Complexity75.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1