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 |