2-(1,3-benzoxazol-2-yl)-4-methylphenyl 2,3-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
2-(1,3-benzoxazol-2-yl)-4-methylphenyl 2,3-dichlorobenzene-1-sulfonate
2-(1,3-benzoxazol-2-yl)-4-methylphenyl 2,3-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-4476 |
| Compound Name: | 2-(1,3-benzoxazol-2-yl)-4-methylphenyl 2,3-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 434.3 |
| Molecular Formula: | C20 H13 Cl2 N O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(c1)c1nc2ccccc2o1)OS(c1cccc(c1[Cl])[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8603 |
| logD: | 5.8603 |
| logSw: | -6.3853 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.897 |
| InChI Key: | QQEDYASDJSXUHQ-UHFFFAOYSA-N |