[1-Tert-Butyl-3-(2,4-Dichlorophenyl)-5-Hydroxy-1H-Pyrazol-4-Yl][2-Chloro-4-(Methylsulfonyl)Phenyl]Methanone

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Properties Simple | Detailed

Formula C21H19Cl3N2O4S
IUPAC Name [1-tert-butyl-3-(2,4-dichlorophenyl)-5-hydroxy-pyrazol-1-ium-4-id-4-yl]-(2-chloro-4-methylsulfonyl-phenyl)methanone
Molecular Mass 501.811 g·mol−1
Heat of Formation -535.7 ± 16.7 kJ·mol−1
Dipole Moment 8.29 ± 1.08 D
Volume 523.28 Å 3
Surface Area 397.56 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 1.90 ± eV
Point Group Symmetry C1
InChIKey HVZVWLVEDDWLOA-UHFFFAOYSA-N
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Elements C Cl H O N S