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Home Sulfos Benzoic acid, 2-[[[[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]-3-methyl-, methyl ester

Benzoic acid, 2-[[[[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]-3-methyl-, methyl ester

CAS No.:
126535-15-7
Catalog Number:
AG000SWW
Molecular Formula:
C17H19F3N6O6S
Molecular Weight:
492.4296
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
98%(HPLC)
In Stock USA
United States
$86
- +
100mg
98%(HPLC)
In Stock USA
United States
$143
- +
1g
98%(HPLC)
In Stock USA
United States
$514
- +
Product Description
Catalog Number:
AG000SWW
Chemical Name:
Benzoic acid, 2-[[[[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]-3-methyl-, methyl ester
CAS Number:
126535-15-7
Molecular Formula:
C17H19F3N6O6S
Molecular Weight:
492.4296
MDL Number:
MFCD03095701
IUPAC Name:
methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate
InChI:
InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)
InChI Key:
IMEVJVISCHQJRM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C
EC Number:
603-146-9
UNII:
Y8AR13FYC0
Properties
Complexity:
793  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.104g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
492.43g/mol
Monoisotopic Mass:
492.104g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Combination effects of (tri)azole fungicides on hormone production and xenobiotic metabolism in a human placental cell line. International journal of environmental research and public health 20140901
Magnetic solid-phase extraction of sulfonylurea herbicides in environmental water samples by Fe3O4@dioctadecyl dimethyl ammonium chloride@silica magnetic particles. Analytica chimica acta 20121017
The herbicide triflusulfuron-meth-yl. Acta crystallographica. Section E, Structure reports online 20110701
Influence of dissolved organic matter from waste material on the phytotoxicity and environmental fate of triflusulfuron methyl. Environmental science & technology 20051001
Removal of pesticides from aqueous solution: Quantitative relationship between activated carbon characteristics and adsorption properties. Environmental technology 20050801
Application of coupled liquid chromatography-mass spectrometry in photolysis studies of the herbicide triflusulfuron-methyl. Pest management science 20010601
Properties