3-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]phenol
Chemical Structure Depiction of
3-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]phenol
3-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]phenol
Compound characteristics
| Compound ID: | 8016-8213 |
| Compound Name: | 3-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]phenol |
| Molecular Weight: | 236.18 |
| Molecular Formula: | C9 H8 N4 O4 |
| Smiles: | Cn1c(nc(n1)[N+]([O-])=O)Oc1cccc(c1)O |
| Stereo: | ACHIRAL |
| logP: | 1.093 |
| logD: | 1.0915 |
| logSw: | -1.4697 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.556 |
| InChI Key: | YZZRJLPDJVESRP-UHFFFAOYSA-N |