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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

CAS 625-35-4
1 2D Structure

CAS 625-35-4

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

BUILDING BLOCK

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