2-methyl-5-nitrobenzene-1-sulfonic acid
Chemical Structure Depiction of
2-methyl-5-nitrobenzene-1-sulfonic acid
2-methyl-5-nitrobenzene-1-sulfonic acid
Compound characteristics
| Compound ID: | 0804-0047 |
| Compound Name: | 2-methyl-5-nitrobenzene-1-sulfonic acid |
| Molecular Weight: | 217.2 |
| Molecular Formula: | C7 H7 N O5 S |
| Smiles: | Cc1ccc(cc1S(O)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.5364 |
| logD: | -14.2363 |
| logSw: | -1.8262 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.034 |
| InChI Key: | ZDTXQHVBLWYPHS-UHFFFAOYSA-N |