3-{[2-(3-bromobenzoyl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
3-{[2-(3-bromobenzoyl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate
3-{[2-(3-bromobenzoyl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8003-5069 |
| Compound Name: | 3-{[2-(3-bromobenzoyl)hydrazinylidene]methyl}phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 513.26 |
| Molecular Formula: | C21 H13 Br N4 O7 |
| Smiles: | C(\c1cccc(c1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=N/NC(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5834 |
| logD: | 4.5512 |
| logSw: | -4.6462 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 122.695 |
| InChI Key: | WULSFEWPJZYCRG-UHFFFAOYSA-N |