Home Amines 100784-20-1
100784-20-1,MFCD07369918
Catalog No.:AA0002S9
100784-20-1 | 1H-Pyrazole-4-carboxylic acid, 3-chloro-5-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-1-methyl-, methyl ester
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Technical Information
Catalog Number:
AA0002S9
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
Computed 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  

Synonyms
 
halosulfuron methyl 
Halosulfuron-methyl 
MON 12000 
Halosulfuron-methyl [ISO:BSI] 
UNII-W1CP17GD87 
MON 12037 
NC 319 
NC 311 
A 841101 
W1CP17GD87 
CHEBI:81750 
1H-Pyrazole-4-carboxylic acid, 3-chloro-5-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-1-methyl-, methyl ester 
100784-20-1 
Methyl 3-chloro-5-(N-((4,6-dimethoxypyrimidin-2-yl)carbamoyl)sulfamoyl)-1-methyl-1H-pyrazole-4-carboxylate 
1H-Pyrazole-4-carboxylic acid, 3-chloro-5-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-1-methyl-, methyl ester 
methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate 
methyl 3-chloro-5-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]amino}sulfonyl)-1-methyl-1H-pyrazole-4-carboxylate 
Methyl 3-chloro-5-(4,6-dimethoxy-2-pyrimidinylcarbamoylsulfamoyl)-1-methylpyrazole-4-carboxylate 
C13H15ClN6O7S 
AC1L3MRA 
Halosulfuron-methyl, BSI 
SCHEMBL55094 
CHEMBL2140532 
Battalion 
DTXSID9034650 
CTK8E9009 
FMGZEUWROYGLAY-UHFFFAOYSA-N 
KS-000011TD 
ZINC2381596 
MFCD01631160 
NC-319 
AKOS015900285 
TRA0057356 
NCGC00163811-01 
Inpool 
NCGC00163811-02 
AC-18023 
AN-34367 
AS-15266 
methyl 3-chloro-5-(4,6-dimethoxypyrimidin-2-ylcarbamoylsulfamoyl)-1-methylpyrazole-4-carboxylate 
O676 
SC-79858 
AB1006756 
LS-128287 
RT-011832 
Manage 
FT-0642433 
C18442 
784H201 
J-000222 
Halosulfuron-methyl, PESTANAL(R), analytical standard 
I14-10579 
3-Chloro-5-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester 
3-Chloro-5-[[3-(4,6-dimethoxypyrimidin-2-yl)ureido]sulfonyl]-1-methyl-1H-pyrazole-4-carboxylic Acid Methyl Ester 
Halosulfuron methyl ,3-Chloro-5-(((((4,6-dimethoxy-2-pyrimidinyl) amino)carbonyl)amino)sulfonyl)-1-methyl-1H-pyrazole-4carboxylic acid methyl ester 
Halosulfuron methyl ,3-Chloro-5-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester 
Sandea 
methyl 3-chloro-5-(N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl)-1-methyl-1H-pyrazole-4-carboxylate 
methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylate 
Methyl 3-Chloro-5-[[3-(4,6-dimethoxypyrimidin-2-yl)ureido]sulfonyl]-1-methyl-1H-pyrazole-4-carboxylate 
Methyl 3-Chloro-5-[[3-(4,6-dimethoxypyrimidin-2-yl)ureido]sulfonyl]-1-methyl-1H-pyrazole-4-carboxylate / 3-Chloro-5-[[3-(4,6-dimethoxypyrimidin-2-yl)ureido]sulfonyl]-1-methyl-1H-pyrazole-4-carboxylic Acid Methyl Ester 
Permit 
Butafenacil 
Shadow 
Halosulfuron-metilo 
C.I. Natural Brown 3 
Halosulfuron methyl (MON 1200) 
Sempra 
CID91763 
C13-H15-Cl-N6-O7-S 
1ST22300 
H1374 
134605-64-4 
Halosulfuron methyl 
Permit 75WG 
Literature

Title: Electro-oxidation of herbicide halosulfuron methyl on glassy carbon electrode and applications.

Journal: Talanta 20101015

Title: Transformation kinetics and mechanism of the sulfonylurea herbicides pyrazosulfuron ethyl and halosulfuron methyl in aqueous solutions.

Journal: Journal of agricultural and food chemistry 20080827

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