2-[5-(2-chlorophenyl)-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-[5-(2-chlorophenyl)-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
2-[5-(2-chlorophenyl)-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8014-1186 |
| Compound Name: | 2-[5-(2-chlorophenyl)-1H-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 306.71 |
| Molecular Formula: | C13 H11 Cl N4 O3 |
| Smiles: | C1C(C2COC(C1=O)O2)n1c(c2ccccc2[Cl])nnn1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9642 |
| logD: | 0.9642 |
| logSw: | -2.7325 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.464 |
| InChI Key: | ZILWLYWWNDPPOD-UHFFFAOYSA-N |