4-[(2-bromophenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-[(2-bromophenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5(4H)-one
4-[(2-bromophenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 8001-7076 |
| Compound Name: | 4-[(2-bromophenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 418.16 |
| Molecular Formula: | C16 H8 Br N3 O6 |
| Smiles: | C(=C1/C(=O)OC(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=N1)\c1ccccc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.7115 |
| logD: | 3.7115 |
| logSw: | -4.2218 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.139 |
| InChI Key: | BHVMTHLOQBDJJA-UHFFFAOYSA-N |