4-[(2-chloro-6-fluorophenyl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2-chloro-6-fluorophenyl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(2-chloro-6-fluorophenyl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K074-6545 |
| Compound Name: | 4-[(2-chloro-6-fluorophenyl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 346.7 |
| Molecular Formula: | C16 H8 Cl F N2 O4 |
| Smiles: | C(=C1/C(=O)OC(c2ccc(cc2)[N+]([O-])=O)=N1)\c1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.6047 |
| logD: | 3.6047 |
| logSw: | -4.1171 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.757 |
| InChI Key: | AQQORMUJYKTRMZ-UHFFFAOYSA-N |