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ACTIVE PHARMA INGREDIENTS

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ACTIVE PHARMA INGREDIENTS

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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

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 Formula	C₁₂H₂₃ClO
Molecular Weight	218.76 g/mol
XLogP3	5.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	10
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	17.1
Heavy Atom Count	14
Formal Charge	0
Complexity	134
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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CAS 112-16-3

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ACTIVE PHARMA INGREDIENTS

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