3-{Cis-4-[(4-Chlorophenyl)Sulfonyl]-4-(2,5-Difluorophenyl)Cyclohexyl}Propanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C21H21ClF2O4S |
| IUPAC Name | 3-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]propanoic acid |
| Molecular Mass | 442.904 g·mol−1 |
| Heat of Formation | -1020.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.51 ± 1.08 D |
| Volume | 485.16 Å 3 |
| Surface Area | 379.97 Å 2 |
| HOMO Energy | -9.76 ± 0.55 eV |
| LUMO Energy | -0.98 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XCGJIFAKUZNNOR-QCKZDCLWSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H Cl O S |