96-30-0

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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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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

96-30-0

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 Formula	C₃H₆ClNO
Molecular Weight	107.54 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	29.1
Heavy Atom Count	6
Formal Charge	0
Complexity	54.8
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