methyl 4-(4-bromoanilino)-3,5-dinitrobenzoate
Chemical Structure Depiction of
methyl 4-(4-bromoanilino)-3,5-dinitrobenzoate
methyl 4-(4-bromoanilino)-3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 1269-6721 |
| Compound Name: | methyl 4-(4-bromoanilino)-3,5-dinitrobenzoate |
| Molecular Weight: | 396.15 |
| Molecular Formula: | C14 H10 Br N3 O6 |
| Smiles: | COC(c1cc(c(c(c1)[N+]([O-])=O)Nc1ccc(cc1)[Br])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0569 |
| logD: | 4.0565 |
| logSw: | -4.3166 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.09 |
| InChI Key: | YSYYCJLUZVXJPH-UHFFFAOYSA-N |