4-[1-(4-Sulfamoylphenyl)-3-(Trifluoromethyl)-1H-Pyrazol-5-Yl](Carboxy-~11~C)Benzoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C17H12F3N3O4S |
| IUPAC Name | 4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-2-ium-1-id-3-yl]benzoic acid |
| Molecular Mass | 410.356 g·mol−1 |
| Heat of Formation | -936.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.48 ± 1.08 D |
| Volume | 421.12 Å 3 |
| Surface Area | 369.97 Å 2 |
| HOMO Energy | -10.29 ± 0.55 eV |
| LUMO Energy | -1.66 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WTHNOVFEXONZMI-GKTGUEEDSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N S |