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2D Structure
Also known as: 112-13-0, Decanoylchloride, Capric acid chloride, N-decanoyl chloride, Decanoic acid chloride, Fj16in0uim
Molecular Formula
C10H19ClO
Molecular Weight
190.71  g/mol
InChI Key
IPIVAXLHTVNRBS-UHFFFAOYSA-N
FDA UNII
FJ16IN0UIM

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
decanoyl chloride
2.1.2 InChI
InChI=1S/C10H19ClO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3
2.1.3 InChI Key
IPIVAXLHTVNRBS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCCCCCC(=O)Cl
2.2 Other Identifiers
2.2.1 UNII
FJ16IN0UIM
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 112-13-0

2. Decanoylchloride

3. Capric Acid Chloride

4. N-decanoyl Chloride

5. Decanoic Acid Chloride

6. Fj16in0uim

7. Capric Chloride

8. C10h19clo

9. Einecs 203-938-0

10. Caprinoyl Chloride

11. Caprinic Acid Chloride

12. N-decanoic Acid Chloride

13. Decanoyl Chloride, 98%

14. Unii-fj16in0uim

15. Ec 203-938-0

16. Schembl234531

17. Dtxsid4059413

18. Zinc1847858

19. Bbl011427

20. Mfcd00000771

21. Stl146534

22. Akos005720773

23. As-14705

24. Bp-31006

25. D0027

26. Decanoyl Chloride, Purum, >=98.0% (gc)

27. Ft-0654464

28. A802494

29. J-002709

30. J-520212

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 190.71 g/mol
Molecular Formula C10H19ClO
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count8
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area17.1
Heavy Atom Count12
Formal Charge0
Complexity112
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1