4-[4-(4-Bromophenyl)-3-(Trifluoromethyl)-1H-Pyrazol-1-Yl]Benzenesulfonamide

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Properties Simple | Detailed

Formula C16H11BrF3N3O2S
IUPAC Name 4-[4-(4-bromophenyl)-3-(trifluoromethyl)pyrazol-1-ium-2-id-1-yl]benzenesulfonamide
Molecular Mass 446.242 g·mol−1
Heat of Formation -546.8 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 410.97 Å 3
Surface Area 367.61 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
InChIKey HWAPFDFOIKEYLL-UHFFFAOYSA-N
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Elements C F H O N S Br