2,4,6-trinitrobenzene-1,3-diol
Chemical Structure Depiction of
2,4,6-trinitrobenzene-1,3-diol
2,4,6-trinitrobenzene-1,3-diol
Compound characteristics
| Compound ID: | 0069-0005 |
| Compound Name: | 2,4,6-trinitrobenzene-1,3-diol |
| Molecular Weight: | 245.1 |
| Molecular Formula: | C6 H3 N3 O8 |
| Smiles: | c1c(c(c(c(c1[N+]([O-])=O)O)[N+]([O-])=O)O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9287 |
| logD: | -4.9157 |
| logSw: | -1.8391 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 130.138 |
| InChI Key: | IXHMHWIBCIYOAZ-UHFFFAOYSA-N |