4-(2-nitrophenyl)-3-oxo-2-(triphenyl-lambda~5~-phosphanylidene)butanenitrile
Chemical Structure Depiction of
4-(2-nitrophenyl)-3-oxo-2-(triphenyl-lambda~5~-phosphanylidene)butanenitrile
4-(2-nitrophenyl)-3-oxo-2-(triphenyl-lambda~5~-phosphanylidene)butanenitrile
Compound characteristics
| Compound ID: | R049-0014 |
| Compound Name: | 4-(2-nitrophenyl)-3-oxo-2-(triphenyl-lambda~5~-phosphanylidene)butanenitrile |
| Molecular Weight: | 464.46 |
| Molecular Formula: | C28 H21 N2 O3 P |
| Smiles: | C(C(C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1)=O)c1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.7074 |
| logD: | 6.7074 |
| logSw: | -6.032 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.807 |
| InChI Key: | USSPYTSHNJAVBY-UHFFFAOYSA-N |