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ACTIVE PHARMA INGREDIENTS

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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 1575-61-7, 5-chloropentanoyl chloride, Pentanoyl chloride, 5-chloro-, 5-chlorovaleroyl chloride, Valeryl chloride, 5-chloro-, 5-chlorovalerylchloride

Molecular Formula

C₅H₈Cl₂O

Molecular Weight

155.02 g/mol

InChI Key

SVNNWKWHLOJLOK-UHFFFAOYSA-N

1 2D Structure

5-Chlorovaleryl Chloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-chloropentanoyl chloride

2.1.2 InChI

InChI=1S/C5H8Cl2O/c6-4-2-1-3-5(7)8/h1-4H2

2.1.3 InChI Key

SVNNWKWHLOJLOK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(CCCl)CC(=O)Cl

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 5-cvc Cpd

2.2.2 Depositor-Supplied Synonyms

1. 1575-61-7

2. 5-chloropentanoyl Chloride

3. Pentanoyl Chloride, 5-chloro-

4. 5-chlorovaleroyl Chloride

5. Valeryl Chloride, 5-chloro-

6. 5-chlorovalerylchloride

7. 5-chloro-pentanoyl Chloride

8. Einecs 216-403-1

9. Nsc 84182

10. Brn 1745182

11. Delta-chlorovaleroyl Chloride

12. Mfcd00000758

13. Chlorovaleryl Chloride

14. 5-chlorovaleroylchloride

15. D-chlorovaleroyl Chloride

16. 5-chloro-pentanoylchloride

17. 5-chloro-valeroyl Chloride

18. Wln: Gv4g

19. Delta-chlorovaleryl Chloride

20. Ec 216-403-1

21. Schembl77065

22. 5-chlorovaleric Acid Chloride

23. 4-02-00-00881 (beilstein Handbook Reference)

24. 2-chloroethylpropionyl Chloride

25. Delta-chlorovaleric Acid Chloride

26. 5-chloro-pentanoic Acid Chloride

27. 5-chlorovaleroyl Chloride, 96%

28. Dtxsid60166272

29. Amy12305

30. Nsc84182

31. Zinc1736654

32. Nsc-84182

33. Akos009156765

34. Db-043354

35. C1789

36. Cs-0015913

37. Ft-0620345

38. En300-36082

39. D89459

40. 5-chlorovaleroyl Chloride, Purum, >=97.0% (t)

41. 575c617

42. A809852

43. W-108002

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₈Cl₂O
Molecular Weight	155.02 g/mol
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	153.9952203 g/mol
Monoisotopic Mass	153.9952203 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	72.8
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

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5-Chlorovaleryl Chloride

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