2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}benzoic acid
Chemical Structure Depiction of
2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}benzoic acid
2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}benzoic acid
Compound characteristics
| Compound ID: | 8012-2482 |
| Compound Name: | 2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}benzoic acid |
| Molecular Weight: | 388.28 |
| Molecular Formula: | C14 H7 F3 N2 O6 S |
| Smiles: | c1ccc(c(c1)C(O)=O)Sc1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0376 |
| logD: | -0.25 |
| logSw: | -4.2605 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.536 |
| InChI Key: | IKWFQXGEZRZQLT-UHFFFAOYSA-N |