4-nitrophenyl 2,4,6-tri(propan-2-yl)benzene-1-sulfonate
Chemical Structure Depiction of
4-nitrophenyl 2,4,6-tri(propan-2-yl)benzene-1-sulfonate
4-nitrophenyl 2,4,6-tri(propan-2-yl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | 2092-1362A |
| Compound Name: | 4-nitrophenyl 2,4,6-tri(propan-2-yl)benzene-1-sulfonate |
| Molecular Weight: | 405.51 |
| Molecular Formula: | C21 H27 N O5 S |
| Smiles: | CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.1479 |
| logD: | 6.1479 |
| logSw: | -5.6024 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.381 |
| InChI Key: | VVFDKPPGYZURFC-UHFFFAOYSA-N |