N-(4-bromo-2-fluorophenyl)-2-methyl-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-2-methyl-3,5-dinitrobenzamide
N-(4-bromo-2-fluorophenyl)-2-methyl-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | Y032-1309 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-2-methyl-3,5-dinitrobenzamide |
| Molecular Weight: | 398.14 |
| Molecular Formula: | C14 H9 Br F N3 O5 |
| Smiles: | Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(Nc1ccc(cc1F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8913 |
| logD: | 1.2042 |
| logSw: | -4.1209 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.094 |
| InChI Key: | ABJMFJYAUSHREX-UHFFFAOYSA-N |