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2D Structure
Also known as: 67129-08-2, Metazachlore, Butisan s, Bas 479h, 2-chloro-n-(2,6-dimethylphenyl)-n-(1h-pyrazol-1-ylmethyl)acetamide, Metazachlor [bsi:iso]
Molecular Formula
C14H16ClN3O
Molecular Weight
277.75  g/mol
InChI Key
STEPQTYSZVCJPV-UHFFFAOYSA-N
FDA UNII
TPY2K437O4

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
2.1.2 InChI
InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3
2.1.3 InChI Key
STEPQTYSZVCJPV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CCl
2.2 Other Identifiers
2.2.1 UNII
TPY2K437O4
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 67129-08-2

2. Metazachlore

3. Butisan S

4. Bas 479h

5. 2-chloro-n-(2,6-dimethylphenyl)-n-(1h-pyrazol-1-ylmethyl)acetamide

6. Metazachlor [bsi:iso]

7. N-((1h-pyrazol-1-yl)methyl)-2-chloro-n-(2,6-dimethylphenyl)acetamide

8. 2-chloro-n-(2,6-dimethylphenyl)-n-(pyrazol-1-ylmethyl)acetamide

9. 2-chloro-n-(pyrazol-1-ylmethyl)acet-2',6'-xylidide

10. Acetamide, 2-chloro-n-(2,6-dimethylphenyl)-n-(1h-pyrazol-1-ylmethyl)-

11. Chebi:6798

12. Tpy2k437o4

13. 2-chloro-n-(2,6-dimethylphenyl)-n-(1h-pyrazol-1-ylmethyl)-acetamide

14. Metazachlor 100 Microg/ml In Acetone

15. Metazachlor 100 Microg/ml In Acetonitrile

16. Pree

17. Metazachlore [iso-french]

18. Einecs 266-583-0

19. Brn 0621550

20. Unii-tpy2k437o4

21. Metazochlor

22. Metazachlor [mi]

23. Metazachlor [iso]

24. Schembl55016

25. 5-23-04-00126 (beilstein Handbook Reference)

26. Us9138393, Metazachlor

27. Us9144538, Metazachlor

28. Chembl2272118

29. Dtxsid4058156

30. Bas 47900h

31. Bdbm181131

32. Zinc900592

33. Mfcd00055509

34. Akos015915018

35. Eg-0202

36. Metazachlor 1000 Microg/ml In N-hexane

37. Hy-136373

38. Cs-0128829

39. Ft-0658709

40. D97499

41. Metazachlor, Pestanal(r), Analytical Standard

42. 129m082

43. A835640

44. W-104729

45. Q15834927

46. 2-chloro-2',6'-dimethyl-n-(pyrazol-1-yl-methyl)-acetanilide

47. 2-chloro-2',6'-dimethyl-n-(pyrazol-1-ylmethyl)acetanilide

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 277.75 g/mol
Molecular Formula C14H16ClN3O
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass277.0981898 g/mol
Monoisotopic Mass277.0981898 g/mol
Topological Polar Surface Area38.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity303
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1