ammonium--4-(methylamino)-3,5-dinitrobenzoate (1/1)
Chemical Structure Depiction of
ammonium--4-(methylamino)-3,5-dinitrobenzoate (1/1)
ammonium--4-(methylamino)-3,5-dinitrobenzoate (1/1)
Compound characteristics
| Compound ID: | 8007-3961 |
| Compound Name: | ammonium--4-(methylamino)-3,5-dinitrobenzoate (1/1) |
| Molecular Weight: | 258.19 |
| Molecular Formula: | C8 H6 N3 O6 |
| Salt: | NH4+ |
| Smiles: | CNc1c(cc(cc1[N+]([O-])=O)C([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0874 |
| logD: | 1.0874 |
| logSw: | -1.8802 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.069 |
| InChI Key: | CEJSJXWFXSXWCA-UHFFFAOYSA-M |