Bay 73-6691
Properties
| Property | Value |
|---|---|
| Formula | C15H12ClF3N4O |
| IUPAC Name | 1-(2-chlorophenyl)-6-(3,3,3-trifluoro-2-methyl-propyl)-5h-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Mass | 356.730 g·mol−1 |
| Heat of Formation | 1848.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.76 ± 1.08 D |
| Volume | 346.38 Å 3 |
| Surface Area | 315.3 Å 2 |
| HOMO Energy | -9.85 ± 0.55 eV |
| LUMO Energy | -3.58 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FFPXPXOAFQCNBS-QMMMGPOBSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | N F C O Cl |