2-({[2-(3-bromophenyl)-1,3-benzoxazol-6-yl]imino}methyl)-4-nitrophenol
Chemical Structure Depiction of
2-({[2-(3-bromophenyl)-1,3-benzoxazol-6-yl]imino}methyl)-4-nitrophenol
2-({[2-(3-bromophenyl)-1,3-benzoxazol-6-yl]imino}methyl)-4-nitrophenol
Compound characteristics
| Compound ID: | 8004-4226 |
| Compound Name: | 2-({[2-(3-bromophenyl)-1,3-benzoxazol-6-yl]imino}methyl)-4-nitrophenol |
| Molecular Weight: | 438.24 |
| Molecular Formula: | C20 H12 Br N3 O4 |
| Smiles: | C(\c1cc(ccc1O)[N+]([O-])=O)=N/c1ccc2c(c1)oc(c1cccc(c1)[Br])n2 |
| Stereo: | ACHIRAL |
| logP: | 5.5151 |
| logD: | 3.6638 |
| logSw: | -5.705 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.106 |
| InChI Key: | BOHNEPSDQJEYSL-UHFFFAOYSA-N |