4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl benzenesulfonate
Chemical Structure Depiction of
4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl benzenesulfonate
4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl benzenesulfonate
Compound characteristics
| Compound ID: | Y041-5371 |
| Compound Name: | 4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl benzenesulfonate |
| Molecular Weight: | 392.86 |
| Molecular Formula: | C19 H17 Cl O5 S |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9981 |
| logD: | 4.9981 |
| logSw: | -5.1918 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.494 |
| InChI Key: | IOFFZFJPAXHVJM-UHFFFAOYSA-N |