3-(3,4-dichlorobenzene-1-sulfonyl)-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3,4-dichlorobenzene-1-sulfonyl)-6-nitro-2H-1-benzopyran-2-one
3-(3,4-dichlorobenzene-1-sulfonyl)-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0154 |
| Compound Name: | 3-(3,4-dichlorobenzene-1-sulfonyl)-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 400.19 |
| Molecular Formula: | C15 H7 Cl2 N O6 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[N+]([O-])=O)S(c1ccc(c(c1)[Cl])[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8475 |
| logD: | 3.8475 |
| logSw: | -4.4037 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.042 |
| InChI Key: | XBVISHBEKDLXML-UHFFFAOYSA-N |