4-{[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
4-{[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
4-{[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | 1894-9020 |
| Compound Name: | 4-{[2-(4-chloro-3-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)Oc1ccc(/C=C2/C(=O)OC(c3ccc(c(c3)[N+]([O-])=O)[Cl])=N2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9665 |
| logD: | 2.9665 |
| logSw: | -3.822 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.207 |
| InChI Key: | GIMUXWGWJUVOTQ-UHFFFAOYSA-N |