Home Sulfos 1H-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt (1:1)

1H-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt (1:1)

CAS No.:
181274-17-9
Catalog Number:
AG0022SK
Molecular Formula:
C12H11F3N4NaO6S
Molecular Weight:
419.2889
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Product Description
Catalog Number:
AG0022SK
Chemical Name:
1H-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt (1:1)
CAS Number:
181274-17-9
Molecular Formula:
C12H11F3N4NaO6S
Molecular Weight:
419.2889
MDL Number:
MFCD03792909
IUPAC Name:
sodium;(3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)-[2-(trifluoromethoxy)phenyl]sulfonylazanide
InChI:
InChI=1S/C12H11F3N4O6S.Na/c1-18-10(24-2)16-19(11(18)21)9(20)17-26(22,23)8-6-4-3-5-7(8)25-12(13,14)15;/h3-6H,1-2H3,(H,17,20);/q;+1/p-1
InChI Key:
UOUXAYAIONPXDH-UHFFFAOYSA-M
SMILES:
COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1ccccc1OC(F)(F)F.[Na]
EC Number:
605-921-7
UNII:
76VQM4L12C
Properties
Complexity:
711  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.017g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.279g/mol
Monoisotopic Mass:
418.017g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Sorption-desorption of 'aged' sulfonylaminocarbonyltriazolinone herbicides in soil. Journal of agricultural and food chemistry 20020911
Properties