4-{[2-(4-chlorobenzoyl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
4-{[2-(4-chlorobenzoyl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate
4-{[2-(4-chlorobenzoyl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8006-3582 |
| Compound Name: | 4-{[2-(4-chlorobenzoyl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 468.81 |
| Molecular Formula: | C21 H13 Cl N4 O7 |
| Smiles: | C(\c1ccc(cc1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=N/NC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2736 |
| logD: | 4.2053 |
| logSw: | -5.0344 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 122.695 |
| InChI Key: | XOFLTDKYACFIOI-UHFFFAOYSA-N |