3-{[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
3-{[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
3-{[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | K088-0267 |
| Compound Name: | 3-{[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 386.75 |
| Molecular Formula: | C18 H11 Cl N2 O6 |
| Smiles: | CC(=O)Oc1cccc(/C=C2/C(=O)OC(c3ccc(cc3[Cl])[N+]([O-])=O)=N2)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0998 |
| logD: | 3.0998 |
| logSw: | -3.8508 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.508 |
| InChI Key: | IQURFFVPUCMMQN-UHFFFAOYSA-N |