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Chemistry

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Also known as: Dodecanoyl chloride, 112-16-3, N-dodecanoyl chloride, Lauroylchloride, Lauric acid chloride, Dodecanoic acid, chloride
Molecular Formula
C12H23ClO
Molecular Weight
218.76  g/mol
InChI Key
NQGIJDNPUZEBRU-UHFFFAOYSA-N
FDA UNII
9LHL10777I

EN300-19952
1 2D Structure

EN300-19952

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
dodecanoyl chloride
2.1.2 InChI
InChI=1S/C12H23ClO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3
2.1.3 InChI Key
NQGIJDNPUZEBRU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCCCCCCCC(=O)Cl
2.2 Other Identifiers
2.2.1 UNII
9LHL10777I
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Dodecanoyl Chloride

2. 112-16-3

3. N-dodecanoyl Chloride

4. Lauroylchloride

5. Lauric Acid Chloride

6. Dodecanoic Acid, Chloride

7. 9lhl10777i

8. Mfcd00000740

9. Unii-9lhl10777i

10. Dodecanoylchloride

11. Hsdb 5567

12. Einecs 203-941-7

13. Lauric Acid, Chloride

14. Ai3-52409

15. Lauroyl Chloride, 98%

16. Ec 203-941-7

17. Schembl160647

18. Ch3(ch2)10c(o)cl

19. Dodecanoic Acid,chloride

20. Chembl3561663

21. Dtxsid5044368

22. Dodecanoyl Chloride [hsdb]

23. Str10231

24. Zinc2041056

25. Tox21_303812

26. Akos009031493

27. Db14670

28. Ncgc00357016-01

29. Cas-112-16-3

30. Db-041047

31. D0972

32. Ft-0627725

33. Dodecanoyl Chloride, Purum, >=97.5% (gc)

34. En300-19952

35. 1,3-dimethyl-1-methylazo-urea;lauroyl Chloride

36. A802503

37. W-108656

38. Q27272707

2.3.2 Other Synonyms

1. N-dodecanoyl Chloride

2. Lauric Acid Chloride

3. Laurel Acetyl Chlorine

4. Dodecanoyl Chloride

5. Lauroylchloride

6. Cas 112-16-3

7. Dodecanoic Acid, Chloride

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 218.76 g/mol
Molecular Formula C12H23ClO
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count10
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area17.1
Heavy Atom Count14
Formal Charge0
Complexity134
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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