4-formylphenyl 4-methyl-3-nitrobenzene-1-sulfonate
Chemical Structure Depiction of
4-formylphenyl 4-methyl-3-nitrobenzene-1-sulfonate
4-formylphenyl 4-methyl-3-nitrobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8013-8926 |
| Compound Name: | 4-formylphenyl 4-methyl-3-nitrobenzene-1-sulfonate |
| Molecular Weight: | 321.31 |
| Molecular Formula: | C14 H11 N O6 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Oc1ccc(C=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9823 |
| logD: | 2.9823 |
| logSw: | -3.4921 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.24 |
| InChI Key: | WXNCVIXBCVBMNI-UHFFFAOYSA-N |