4-[1-chloro-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-[1-chloro-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzene-1,2-dicarbonitrile
4-[1-chloro-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-7874 |
| Compound Name: | 4-[1-chloro-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzene-1,2-dicarbonitrile |
| Molecular Weight: | 351.75 |
| Molecular Formula: | C18 H10 Cl N3 O3 |
| Smiles: | [H]C(C(=C(/c1ccc(C)cc1)[Cl])\c1cc(C#N)c(C#N)cc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0052 |
| logD: | 4.0052 |
| logSw: | -4.5906 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.319 |
| InChI Key: | FXSAZBSTKUICDQ-UHFFFAOYSA-N |