2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
Chemical Structure Depiction of
2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8017-8385 |
| Compound Name: | 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one |
| Molecular Weight: | 369.13 |
| Molecular Formula: | C12 H9 Br N4 O5 |
| Smiles: | C(C(c1ccc2c(c1)OCCO2)=O)n1c(nc(n1)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 0.9325 |
| logD: | 0.9325 |
| logSw: | -2.0516 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.003 |
| InChI Key: | UVHLPKUCKQBBNX-UHFFFAOYSA-N |