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2D Structure
Also known as: 142-61-0, Caproyl chloride, N-caproyl chloride, N-hexanoyl chloride, Caproic acid chloride, Hexanoic acid chloride
Molecular Formula
C6H11ClO
Molecular Weight
134.60  g/mol
InChI Key
YWGHUJQYGPDNKT-UHFFFAOYSA-N
FDA UNII
I7GE8HG3B2

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
hexanoyl chloride
2.1.2 InChI
InChI=1S/C6H11ClO/c1-2-3-4-5-6(7)8/h2-5H2,1H3
2.1.3 InChI Key
YWGHUJQYGPDNKT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCC(=O)Cl
2.2 Other Identifiers
2.2.1 UNII
I7GE8HG3B2
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 142-61-0

2. Caproyl Chloride

3. N-caproyl Chloride

4. N-hexanoyl Chloride

5. Caproic Acid Chloride

6. Hexanoic Acid Chloride

7. I7ge8hg3b2

8. Hexanoylchloride

9. Unii-i7ge8hg3b2

10. Caproylchloride

11. Hexoylchlorid

12. Caproic Chloride

13. Einecs 205-549-1

14. Mfcd00000760

15. Hexanoyl Chloride, 97%

16. Schembl2887

17. Hexanoyl Chloride, >=99%

18. Caproyl Chloride [mi]

19. Pentanecarboxylic Acid Chloride

20. Dtxsid8059718

21. Ywghujqygpdnkt-uhfffaoysa-

22. 1-pentanecarbonyl Chloride

23. Str00510

24. Zinc1847704

25. Akos000121248

26. Ft-0627036

27. H0117

28. Hexanoyl Chloride, Purum, >=98.0% (gc)

29. E78920

30. J-007671

31. Q27280544

32. F0001-0498

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 134.60 g/mol
Molecular Formula C6H11ClO
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area17.1
Heavy Atom Count8
Formal Charge0
Complexity70.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1