3-(6-chloro-2-oxo-2H-1-benzopyran-3-sulfonyl)benzonitrile
Chemical Structure Depiction of
3-(6-chloro-2-oxo-2H-1-benzopyran-3-sulfonyl)benzonitrile
3-(6-chloro-2-oxo-2H-1-benzopyran-3-sulfonyl)benzonitrile
Compound characteristics
| Compound ID: | C200-7212 |
| Compound Name: | 3-(6-chloro-2-oxo-2H-1-benzopyran-3-sulfonyl)benzonitrile |
| Molecular Weight: | 345.76 |
| Molecular Formula: | C16 H8 Cl N O4 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[Cl])S(c1cccc(C#N)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.895 |
| logD: | 2.895 |
| logSw: | -3.6845 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.717 |
| InChI Key: | QFUQGGHLRUKNGS-UHFFFAOYSA-N |