6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate
Chemical Structure Depiction of
6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate
6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate
Compound characteristics
| Compound ID: | Y041-5316 |
| Compound Name: | 6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate |
| Molecular Weight: | 302.73 |
| Molecular Formula: | C12 H11 Cl O5 S |
| Smiles: | CCC1=CC(=O)Oc2cc(c(cc12)[Cl])OS(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5691 |
| logD: | 2.5691 |
| logSw: | -3.3065 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.881 |
| InChI Key: | ZKZPCBIKBDPUJT-UHFFFAOYSA-N |