2-(2-chloro-4-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(2-chloro-4-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
2-(2-chloro-4-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-0223 |
| Compound Name: | 2-(2-chloro-4-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 373.71 |
| Molecular Formula: | C16 H8 Cl N3 O6 |
| Smiles: | C(=C1/C(=O)OC(c2ccc(cc2[Cl])[N+]([O-])=O)=N1)\c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6575 |
| logD: | 3.6575 |
| logSw: | -4.3914 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.139 |
| InChI Key: | OQKWGPHXWSRDHU-UHFFFAOYSA-N |