methyl 4-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]benzoate
Chemical Structure Depiction of
methyl 4-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]benzoate
methyl 4-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]benzoate
Compound characteristics
| Compound ID: | 8016-3429 |
| Compound Name: | methyl 4-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]benzoate |
| Molecular Weight: | 278.22 |
| Molecular Formula: | C11 H10 N4 O5 |
| Smiles: | Cn1c(nc(n1)[N+]([O-])=O)Oc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.8321 |
| logD: | 1.8321 |
| logSw: | -2.0651 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.113 |
| InChI Key: | PWEABZNIAACHQB-UHFFFAOYSA-N |