4-bromo-2-{[2-(2-chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
4-bromo-2-{[2-(2-chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
4-bromo-2-{[2-(2-chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | 2192-1356 |
| Compound Name: | 4-bromo-2-{[2-(2-chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 465.64 |
| Molecular Formula: | C18 H10 Br Cl N2 O6 |
| Smiles: | CC(=O)Oc1ccc(cc1/C=C1/C(=O)OC(c2cc(ccc2[Cl])[N+]([O-])=O)=N1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.0231 |
| logD: | 4.0231 |
| logSw: | -4.5425 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.595 |
| InChI Key: | DEEDUKOHPSSBHI-UHFFFAOYSA-N |