4-[2-(4-methylphenyl)-2-oxoethyl]-5-nitrobenzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-[2-(4-methylphenyl)-2-oxoethyl]-5-nitrobenzene-1,2-dicarbonitrile
4-[2-(4-methylphenyl)-2-oxoethyl]-5-nitrobenzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-5539 |
| Compound Name: | 4-[2-(4-methylphenyl)-2-oxoethyl]-5-nitrobenzene-1,2-dicarbonitrile |
| Molecular Weight: | 305.29 |
| Molecular Formula: | C17 H11 N3 O3 |
| Smiles: | Cc1ccc(cc1)C(Cc1cc(C#N)c(C#N)cc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2825 |
| logD: | 3.2825 |
| logSw: | -3.757 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 80.407 |
| InChI Key: | DKEQSAWEFUOXIA-UHFFFAOYSA-N |