2-({[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]imino}methyl)-4,6-dinitrophenol
Chemical Structure Depiction of
2-({[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]imino}methyl)-4,6-dinitrophenol
2-({[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]imino}methyl)-4,6-dinitrophenol
Compound characteristics
| Compound ID: | 8005-6413 |
| Compound Name: | 2-({[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]imino}methyl)-4,6-dinitrophenol |
| Molecular Weight: | 422.33 |
| Molecular Formula: | C20 H11 F N4 O6 |
| Smiles: | C(\c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O)=N/c1ccc2c(c1)oc(c1cccc(c1)F)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.9045 |
| logD: | 0.0772 |
| logSw: | -4.7897 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.117 |
| InChI Key: | QTHCFINUDFHIOB-UHFFFAOYSA-N |