3-{[(5-chloro-2-hydroxyphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
3-{[(5-chloro-2-hydroxyphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
3-{[(5-chloro-2-hydroxyphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8005-6432 |
| Compound Name: | 3-{[(5-chloro-2-hydroxyphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 441.78 |
| Molecular Formula: | C20 H12 Cl N3 O7 |
| Smiles: | C(\c1cccc(c1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=N/c1cc(ccc1O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3895 |
| logD: | 3.5658 |
| logSw: | -4.6391 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.357 |
| InChI Key: | SXHVNWIBPQXURL-UHFFFAOYSA-N |