2-({[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4,6-dinitrophenol
Chemical Structure Depiction of
2-({[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4,6-dinitrophenol
2-({[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4,6-dinitrophenol
Compound characteristics
| Compound ID: | 8002-9296 |
| Compound Name: | 2-({[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4,6-dinitrophenol |
| Molecular Weight: | 530.23 |
| Molecular Formula: | C20 H11 I N4 O6 |
| Smiles: | C(\c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O)=N/c1ccc2c(c1)nc(c1ccc(cc1)I)o2 |
| Stereo: | ACHIRAL |
| logP: | 6.0331 |
| logD: | 1.2057 |
| logSw: | -5.9385 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.117 |
| InChI Key: | FJBGFIGHWNTAQO-UHFFFAOYSA-N |