5,5'-[1,3-phenylenebis(oxy)]bis(1-methyl-3-nitro-1H-1,2,4-triazole)
Chemical Structure Depiction of
5,5'-[1,3-phenylenebis(oxy)]bis(1-methyl-3-nitro-1H-1,2,4-triazole)
5,5'-[1,3-phenylenebis(oxy)]bis(1-methyl-3-nitro-1H-1,2,4-triazole)
Compound characteristics
| Compound ID: | 8016-8212 |
| Compound Name: | 5,5'-[1,3-phenylenebis(oxy)]bis(1-methyl-3-nitro-1H-1,2,4-triazole) |
| Molecular Weight: | 362.26 |
| Molecular Formula: | C12 H10 N8 O6 |
| Smiles: | Cn1c(nc(n1)[N+]([O-])=O)Oc1cccc(c1)Oc1nc(nn1C)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1869 |
| logD: | 1.1869 |
| logSw: | -1.9087 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 127.639 |
| InChI Key: | VFOJAQDUIBJLMJ-UHFFFAOYSA-N |