7-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]-2H-1-benzopyran-2-one
7-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8015-1304 |
| Compound Name: | 7-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)oxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 288.22 |
| Molecular Formula: | C12 H8 N4 O5 |
| Smiles: | Cn1c(nc(n1)[N+]([O-])=O)Oc1ccc2C=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 1.3248 |
| logD: | 1.3248 |
| logSw: | -2.1045 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.346 |
| InChI Key: | DYAKISXVUGXZQO-UHFFFAOYSA-N |