Home Sulfos Benzoic acid,2-[[[[[4,6-bis(difluoromethoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester

Benzoic acid,2-[[[[[4,6-bis(difluoromethoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester

CAS No.:
86209-51-0
Catalog Number:
AG01DQ6X
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01DQ6X
Chemical Name:
Benzoic acid,2-[[[[[4,6-bis(difluoromethoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester
CAS Number:
86209-51-0
MDL Number:
MFCD00337169
IUPAC Name:
methyl 2-[[4,6-bis(difluoromethoxy)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate
InChI:
InChI=1S/C15H12F4N4O7S/c1-28-11(24)7-4-2-3-5-8(7)31(26,27)23-15(25)22-14-20-9(29-12(16)17)6-10(21-14)30-13(18)19/h2-6,12-13H,1H3,(H2,20,21,22,23,25)
InChI Key:
ZTYVMAQSHCZXLF-UHFFFAOYSA-N
EC Number:
617-814-2
UNII:
3TN6B6S8JP
Properties
Complexity:
707  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.036g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
468.336g/mol
Monoisotopic Mass:
468.036g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Determination of 142 pesticides in fruit- and vegetable-based infant foods by liquid chromatography/electrospray ionization-tandem mass spectrometry and estimation of measurement uncertainty. Journal of AOAC International 20090101
Measurement of xylem translocation of weak electrolytes with the pressure chamber technique. Pest management science 20020501
Properties