2-({[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4,6-dinitrophenol
Chemical Structure Depiction of
2-({[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4,6-dinitrophenol
2-({[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4,6-dinitrophenol
Compound characteristics
| Compound ID: | 0960-0241 |
| Compound Name: | 2-({[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4,6-dinitrophenol |
| Molecular Weight: | 483.23 |
| Molecular Formula: | C20 H11 Br N4 O6 |
| Smiles: | C(\c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O)=N/c1ccc2c(c1)nc(c1ccccc1[Br])o2 |
| Stereo: | ACHIRAL |
| logP: | 5.0889 |
| logD: | 0.2616 |
| logSw: | -5.0114 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.117 |
| InChI Key: | YKFPSCDJLKOPFH-UHFFFAOYSA-N |