4-chloro-N-(2-methoxy-5-nitrophenyl)-3,5-dinitrobenzamide
Chemical Structure Depiction of
4-chloro-N-(2-methoxy-5-nitrophenyl)-3,5-dinitrobenzamide
4-chloro-N-(2-methoxy-5-nitrophenyl)-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | Y032-1099 |
| Compound Name: | 4-chloro-N-(2-methoxy-5-nitrophenyl)-3,5-dinitrobenzamide |
| Molecular Weight: | 396.7 |
| Molecular Formula: | C14 H9 Cl N4 O8 |
| Smiles: | COc1ccc(cc1NC(c1cc(c(c(c1)[N+]([O-])=O)[Cl])[N+]([O-])=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9145 |
| logD: | -0.5581 |
| logSw: | -3.9386 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 129.805 |
| InChI Key: | JMSPQKACFXPNNY-UHFFFAOYSA-N |