3-nitrophenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-nitrophenyl 4-methylbenzene-1-sulfonate
3-nitrophenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 0233-0059 |
| Compound Name: | 3-nitrophenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 293.3 |
| Molecular Formula: | C13 H11 N O5 S |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5188 |
| logD: | 3.5188 |
| logSw: | -3.7683 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.381 |
| InChI Key: | QRMMIQVSVATYQP-UHFFFAOYSA-N |