4-(1-chloro-3-oxo-1-phenylprop-1-en-2-yl)-5-nitrobenzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-(1-chloro-3-oxo-1-phenylprop-1-en-2-yl)-5-nitrobenzene-1,2-dicarbonitrile
4-(1-chloro-3-oxo-1-phenylprop-1-en-2-yl)-5-nitrobenzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-8744 |
| Compound Name: | 4-(1-chloro-3-oxo-1-phenylprop-1-en-2-yl)-5-nitrobenzene-1,2-dicarbonitrile |
| Molecular Weight: | 337.72 |
| Molecular Formula: | C17 H8 Cl N3 O3 |
| Smiles: | C(C(=C(/c1ccccc1)[Cl])\c1cc(C#N)c(C#N)cc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4767 |
| logD: | 3.4767 |
| logSw: | -4.0803 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.319 |
| InChI Key: | BLXVQSUBRDHYML-UHFFFAOYSA-N |