3-(3,4-dimethylbenzene-1-sulfonyl)-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3,4-dimethylbenzene-1-sulfonyl)-6-nitro-2H-1-benzopyran-2-one
3-(3,4-dimethylbenzene-1-sulfonyl)-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0110 |
| Compound Name: | 3-(3,4-dimethylbenzene-1-sulfonyl)-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 359.36 |
| Molecular Formula: | C17 H13 N O6 S |
| Smiles: | Cc1ccc(cc1C)S(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6323 |
| logD: | 3.6323 |
| logSw: | -3.914 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.042 |
| InChI Key: | AOMGWEQHZGBIFL-UHFFFAOYSA-N |