methyl 4-(2-bromo-4-nitroanilino)-3,5-dinitrobenzoate
Chemical Structure Depiction of
methyl 4-(2-bromo-4-nitroanilino)-3,5-dinitrobenzoate
methyl 4-(2-bromo-4-nitroanilino)-3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 1269-3507 |
| Compound Name: | methyl 4-(2-bromo-4-nitroanilino)-3,5-dinitrobenzoate |
| Molecular Weight: | 441.15 |
| Molecular Formula: | C14 H9 Br N4 O8 |
| Smiles: | COC(c1cc(c(c(c1)[N+]([O-])=O)Nc1ccc(cc1[Br])[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2071 |
| logD: | 4.1588 |
| logSw: | -4.4609 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 127.774 |
| InChI Key: | JUUMQNXBAIGWCC-UHFFFAOYSA-N |