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2D Structure
Also known as: 764-85-2, Nonanoylchloride, Nonanoic acid chloride, Pelargonoyl chloride, Pelargonyl chloride, N-nonanoyl chloride
Molecular Formula
C9H17ClO
Molecular Weight
176.68  g/mol
InChI Key
NTQYXUJLILNTFH-UHFFFAOYSA-N
FDA UNII
0V0DUM0390

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
nonanoyl chloride
2.1.2 InChI
InChI=1S/C9H17ClO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3
2.1.3 InChI Key
NTQYXUJLILNTFH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCCCCC(=O)Cl
2.2 Other Identifiers
2.2.1 UNII
0V0DUM0390
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 764-85-2

2. Nonanoylchloride

3. Nonanoic Acid Chloride

4. Pelargonoyl Chloride

5. Pelargonyl Chloride

6. N-nonanoyl Chloride

7. Pelargonic Acid Chloride

8. 0v0dum0390

9. Nsc-9829

10. Mfcd00000768

11. Nananoyl Chloride

12. Nsc 9829

13. Einecs 212-131-2

14. Nonanic Acid Chloride

15. Nonanoyl Chloride, 96%

16. Schembl378269

17. Unii-0v0dum0390

18. Chembl3189014

19. Dtxsid3042215

20. Nsc9829

21. Zinc1700207

22. Tox21_202869

23. Akos009031353

24. Ncgc00260415-01

25. Cas-764-85-2

26. Ls-13691

27. Db-056068

28. Ft-0632906

29. N0372

30. N0813

31. D91690

32. A838721

33. Q27894139

34. F1905-6978

35. Nonanoyl Chloride, Pelargonyl Chloride, Pelargonic Acid Chloride

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 176.68 g/mol
Molecular Formula C9H17ClO
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area17.1
Heavy Atom Count11
Formal Charge0
Complexity102
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1