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2D Structure
Also known as: 96-30-0, N-methyl-2-chloroacetamide, N-methylchloroacetamide, Acetamide, 2-chloro-n-methyl-, Usaf do-35, 2-chloro-n-methyl-acetamide
Molecular Formula
C3H6ClNO
Molecular Weight
107.54  g/mol
InChI Key
HOZLOOPIXHWKCI-UHFFFAOYSA-N
FDA UNII
2WW385P414

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-N-methylacetamide
2.1.2 InChI
InChI=1S/C3H6ClNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6)
2.1.3 InChI Key
HOZLOOPIXHWKCI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CNC(=O)CCl
2.2 Other Identifiers
2.2.1 UNII
2WW385P414
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 96-30-0

2. N-methyl-2-chloroacetamide

3. N-methylchloroacetamide

4. Acetamide, 2-chloro-n-methyl-

5. Usaf Do-35

6. 2-chloro-n-methyl-acetamide

7. Mfcd00018913

8. Alpha-chloro-n-methylacetamide

9. .alpha.-chloro-n-methylacetamide

10. Nsc 1725

11. Einecs 202-497-1

12. Brn 1740634

13. Unii-2ww385p414

14. Nsc-1725

15. 2ww385p414

16. 4-04-00-00179 (beilstein Handbook Reference)

17. N-methyl 2-chloroacetamide

18. Nsc1725

19. N-methylchloracetamide

20. N-methyl Chloroacetamide

21. 2-chlor-n-methylacetamid

22. 2-chloro-n-methyl-acetamid

23. Schembl9876

24. 2-chloro-n-methyl Acetamide

25. N-methyl-2-chloro Acetamide

26. Wln: G1vm1

27. Chloroacetic Acid N-methylamide

28. Chembl3352950

29. Dtxsid60242065

30. Stk501230

31. Akos000103756

32. Cs-w007769

33. Ls-8579

34. As-10448

35. Sy003250

36. C3014

37. Ft-0611982

38. 3-nitro-2-piperidin-1-yl-benzoicacid

39. En300-01998

40. Q27255721

41. Z56891219

42. F2190-0236

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 107.54 g/mol
Molecular Formula C3H6ClNO
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area29.1
Heavy Atom Count6
Formal Charge0
Complexity54.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1