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2D Structure
Also known as: 100784-20-1, Battalion, Sempra, Inpool, Sandea, Permit 75wg
Molecular Formula
C13H15ClN6O7S
Molecular Weight
434.81  g/mol
InChI Key
FMGZEUWROYGLAY-UHFFFAOYSA-N
FDA UNII
W1CP17GD87

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
2.1.2 InChI
InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)
2.1.3 InChI Key
FMGZEUWROYGLAY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
2.2 Other Identifiers
2.2.1 UNII
W1CP17GD87
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Halosulfuron Methyl

2.3.2 Depositor-Supplied Synonyms

1. 100784-20-1

2. Battalion

3. Sempra

4. Inpool

5. Sandea

6. Permit 75wg

7. Mon 12000

8. Halosulfuron-methyl [iso:bsi]

9. Nc 319

10. A 841101

11. Halosulfuron Methyl

12. 1h-pyrazole-4-carboxylic Acid, 3-chloro-5-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-1-methyl-, Methyl Ester

13. 1h-pyrazole-4-carboxylic Acid, 3-chloro-5-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-1-methyl-, Methyl Ester

14. W1cp17gd87

15. Chebi:81750

16. Methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate

17. Halosulfuron-methyl 100 Microg/ml In Acetonitrile

18. Methyl 3-chloro-5-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]amino}sulfonyl)-1-methyl-1h-pyrazole-4-carboxylate

19. Nc 311

20. Unii-w1cp17gd87

21. Nc-319

22. Permit (nissan)

23. Halosulfuron-methyl, Bsi

24. Manage (monsanto)

25. Methyl 3-chloro-5-(4,6-dimethoxypyrimidin-2-ylcarbamoylsulfamoyl)-1-methylpyrazole-4-carboxylate

26. Schembl55094

27. Halosulfuron Methyl Ester

28. Chembl2140532

29. Dtxsid9034650

30. Halosulfuron-methyl [mi]

31. Amy3556

32. Halosulfuron-methyl [iso]

33. Zinc2381596

34. Mfcd01631160

35. Mon-12000

36. Mon-12037

37. Akos015900285

38. Ncgc00163811-01

39. Ncgc00163811-02

40. 3-chloro-5-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-1-methyl-1h-pyrazole-4-carboxylic Acid Methyl Ester

41. Ac-18023

42. As-15266

43. Ft-0642433

44. H1374

45. C18442

46. T71523

47. 784h201

48. A-841101

49. J-000222

50. Halosulfuron-methyl, Pestanal(r), Analytical Standard

51. Q22808250

52. 3-chloro-5-[[3-(4,6-dimethoxypyrimidin-2-yl)ureido]sulfonyl]-1-methyl-1h-pyrazole-4-carboxylic Acid Methyl Ester

53. Halosulfuron Methyl ,3-chloro-5-(((((4,6-dimethoxy-2-pyrimidinyl) Amino)carbonyl)amino)sulfonyl)-1-methyl-1h-pyrazole-4carboxylic Acid Methyl Ester

54. Halosulfuron Methyl ,3-chloro-5-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-1-methyl-1h-pyrazole-4-carboxylic Acid Methyl Ester

55. Methyl 3-chloro-5-(n-((4,6-dimethoxypyrimidin-2-yl)carbamoyl)sulfamoyl)-1-methyl-1h-pyrazole-4-carboxylate

56. Methyl 3-chloro-5-(n-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl)-1-methyl-1h-pyrazole-4-carboxylate

57. Methyl 3-chloro-5-[[3-(4,6-dimethoxypyrimidin-2-yl)ureido]sulfonyl]-1-methyl-1h-pyrazole-4-carboxylate

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 434.81 g/mol
Molecular Formula C13H15ClN6O7S
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass434.0411457 g/mol
Monoisotopic Mass434.0411457 g/mol
Topological Polar Surface Area172 Ų
Heavy Atom Count28
Formal Charge0
Complexity665
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1