4-[(2-chloro-6-fluorophenyl)methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2-chloro-6-fluorophenyl)methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5(4H)-one
4-[(2-chloro-6-fluorophenyl)methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2047-9648 |
| Compound Name: | 4-[(2-chloro-6-fluorophenyl)methylidene]-2-(4-chloro-3-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 381.14 |
| Molecular Formula: | C16 H7 Cl2 F N2 O4 |
| Smiles: | C(=C1/C(=O)OC(c2ccc(c(c2)[N+]([O-])=O)[Cl])=N1)\c1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.8684 |
| logD: | 3.8684 |
| logSw: | -4.4773 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.456 |
| InChI Key: | CELPAOYBAWMKHW-UHFFFAOYSA-N |