1-{4-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]phenyl}ethan-1-one
1-{4-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | 8016-7503 |
| Compound Name: | 1-{4-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]phenyl}ethan-1-one |
| Molecular Weight: | 262.22 |
| Molecular Formula: | C11 H10 N4 O4 |
| Smiles: | CC(c1ccc(cc1)Oc1nc(nn1C)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2834 |
| logD: | 1.2834 |
| logSw: | -1.9424 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.765 |
| InChI Key: | BJGZJMXMZQCQCL-UHFFFAOYSA-N |