2,4-dinitro-6-(phenylmethanesulfonyl)benzonitrile
Chemical Structure Depiction of
2,4-dinitro-6-(phenylmethanesulfonyl)benzonitrile
2,4-dinitro-6-(phenylmethanesulfonyl)benzonitrile
Compound characteristics
| Compound ID: | 8009-7211 |
| Compound Name: | 2,4-dinitro-6-(phenylmethanesulfonyl)benzonitrile |
| Molecular Weight: | 347.3 |
| Molecular Formula: | C14 H9 N3 O6 S |
| Smiles: | C(c1ccccc1)S(c1cc(cc(c1C#N)[N+]([O-])=O)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2116 |
| logD: | 2.2116 |
| logSw: | -2.5915 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 112.521 |
| InChI Key: | KBFRYZAVSLGLKQ-UHFFFAOYSA-N |