4-benzylidene-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-benzylidene-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5(4H)-one
4-benzylidene-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-0251 |
| Compound Name: | 4-benzylidene-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 328.71 |
| Molecular Formula: | C16 H9 Cl N2 O4 |
| Smiles: | C(=C1/C(=O)OC(c2ccc(cc2[Cl])[N+]([O-])=O)=N1)\c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7362 |
| logD: | 3.7362 |
| logSw: | -4.3917 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.757 |
| InChI Key: | ZLSQSSDACXBIDQ-UHFFFAOYSA-N |