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Home Sulfos 1H-Pyrazole-4-carboxylic acid, 3-chloro-5-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-1-methyl-, methyl ester

1H-Pyrazole-4-carboxylic acid, 3-chloro-5-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-1-methyl-, methyl ester

CAS No.:
100784-20-1
Catalog Number:
AG0002V1
Molecular Formula:
C13H15ClN6O7S
Molecular Weight:
434.8122
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
99%(HPLC)
In Stock USA
United States
$46
- +
100mg
99%(HPLC)
In Stock USA
United States
$82
- +
Product Description
Catalog Number:
AG0002V1
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 3-chloro-5-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-1-methyl-, methyl ester
CAS Number:
100784-20-1
Molecular Formula:
C13H15ClN6O7S
Molecular Weight:
434.8122
MDL Number:
MFCD07369918
IUPAC Name:
methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
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)
InChI Key:
FMGZEUWROYGLAY-UHFFFAOYSA-N
SMILES:
COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl
EC Number:
600-130-3
UNII:
W1CP17GD87
Properties
Complexity:
665  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.041g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
434.808g/mol
Monoisotopic Mass:
434.041g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Electro-oxidation of herbicide halosulfuron methyl on glassy carbon electrode and applications. Talanta 20101015
Transformation kinetics and mechanism of the sulfonylurea herbicides pyrazosulfuron ethyl and halosulfuron methyl in aqueous solutions. Journal of agricultural and food chemistry 20080827
Properties