methyl 4-(4-methoxyanilino)-3,5-dinitrobenzoate
Chemical Structure Depiction of
methyl 4-(4-methoxyanilino)-3,5-dinitrobenzoate
methyl 4-(4-methoxyanilino)-3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 1269-3879 |
| Compound Name: | methyl 4-(4-methoxyanilino)-3,5-dinitrobenzoate |
| Molecular Weight: | 347.28 |
| Molecular Formula: | C15 H13 N3 O7 |
| Smiles: | COC(c1cc(c(c(c1)[N+]([O-])=O)Nc1ccc(cc1)OC)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2054 |
| logD: | 3.2054 |
| logSw: | -3.7321 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.634 |
| InChI Key: | MBUXZHGBPYSAOG-UHFFFAOYSA-N |