pentachlorophenyl 2,4,6-tri(propan-2-yl)benzene-1-sulfonate
Chemical Structure Depiction of
pentachlorophenyl 2,4,6-tri(propan-2-yl)benzene-1-sulfonate
pentachlorophenyl 2,4,6-tri(propan-2-yl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | 0538-0119 |
| Compound Name: | pentachlorophenyl 2,4,6-tri(propan-2-yl)benzene-1-sulfonate |
| Molecular Weight: | 532.74 |
| Molecular Formula: | C21 H23 Cl5 O3 S |
| Smiles: | CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)Oc1c(c(c(c(c1[Cl])[Cl])[Cl])[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 8.8545 |
| logD: | 8.8545 |
| logSw: | -7.2823 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.173 |
| InChI Key: | QZIZKGMBVWQWFO-UHFFFAOYSA-N |