1-{(3R,3Ar)-3-[3-Fluoro-4-(Trifluoromethoxy)Phenyl]-8-Methoxy-3,3A,4,5-Tetrahydro-2H-Benzo[G]Indazol-2-Yl}-2-Hydroxyethanone
Properties
| Property | Value |
|---|---|
| Formula | C21H18F4N2O4 |
| IUPAC Name | 1-[(3s,3as)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-8-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]-2-hydroxy-ethanone |
| Molecular Mass | 438.372 g·mol−1 |
| Heat of Formation | -1215.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.42 ± 1.08 D |
| Volume | 464.0 Å 3 |
| Surface Area | 392.92 Å 2 |
| HOMO Energy | -9.07 ± 0.55 eV |
| LUMO Energy | 2.02 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RPGVJSZQQKMKSB-JLTOFOAXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |