2-(3-bromophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(3-bromophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
2-(3-bromophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K076-0427 |
| Compound Name: | 2-(3-bromophenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 373.16 |
| Molecular Formula: | C16 H9 Br N2 O4 |
| Smiles: | C(=C1/C(=O)OC(c2cccc(c2)[Br])=N1)\c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0466 |
| logD: | 4.0466 |
| logSw: | -4.3737 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.757 |
| InChI Key: | GXIHEOBKWJTTRP-UHFFFAOYSA-N |