4-{[2-(2-chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-1,2-phenylene diacetate
Chemical Structure Depiction of
4-{[2-(2-chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-1,2-phenylene diacetate
4-{[2-(2-chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-1,2-phenylene diacetate
Compound characteristics
| Compound ID: | 2192-1364 |
| Compound Name: | 4-{[2-(2-chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-1,2-phenylene diacetate |
| Molecular Weight: | 444.78 |
| Molecular Formula: | C20 H13 Cl N2 O8 |
| Smiles: | CC(=O)Oc1ccc(/C=C2/C(=O)OC(c3cc(ccc3[Cl])[N+]([O-])=O)=N2)cc1OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2754 |
| logD: | 3.2754 |
| logSw: | -3.9836 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 105.433 |
| InChI Key: | MYUSNXZZONXBAI-UHFFFAOYSA-N |