5-chloro-2-(4-methyl-1,3-benzoxazol-2-yl)phenyl ethanesulfonate
Chemical Structure Depiction of
5-chloro-2-(4-methyl-1,3-benzoxazol-2-yl)phenyl ethanesulfonate
5-chloro-2-(4-methyl-1,3-benzoxazol-2-yl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V024-8315 |
| Compound Name: | 5-chloro-2-(4-methyl-1,3-benzoxazol-2-yl)phenyl ethanesulfonate |
| Molecular Weight: | 351.81 |
| Molecular Formula: | C16 H14 Cl N O4 S |
| Smiles: | CCS(=O)(=O)Oc1cc(ccc1c1nc2c(C)cccc2o1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5508 |
| logD: | 4.5508 |
| logSw: | -4.7229 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.014 |
| InChI Key: | PBBGSWQTXPMRQX-UHFFFAOYSA-N |