Pyrazosulfuron-Ethyl

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Properties Simple | Detailed

Formula C14H18N6O7S
IUPAC Name ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylate
Molecular Mass 414.394 g·mol−1
Heat of Formation -885.8 ± 16.7 kJ·mol−1
Dipole Moment 3.01 ± 1.08 D
Volume 440.41 Å 3
Surface Area 367.61 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrazole-4-carboxylic acid, 5-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-1-methyl-, ethyl ester
  • 1h-pyrazole-4-carboxylic acid, 5-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-1-methyl-, ethyl ester
  • 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid ethyl ester
  • 5-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-1-methyl-4-pyrazolecarboxylic acid ethyl ester
  • ethyl 5-[(4,6-dimethoxy-2-pyrimidinyl)aminocarbonylaminosulfonyl]-1-methyl-1h-pyrazole-4-carboxylate
  • ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
  • pyrazosulfuron ethyl
  • sirius
CAS Number(s)
  • 93697-74-6
InChIKey BGNQYGRXEXDAIQ-UHFFFAOYSA-N
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