3-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
3-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E786-0139 |
| Compound Name: | 3-(3-chloro-4-fluoroanilino)-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 336.15 |
| Molecular Formula: | C16 H8 Cl2 F N O2 |
| Smiles: | c1cc(ccc1C1=C(C(C1=O)=O)Nc1ccc(c(c1)[Cl])F)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5077 |
| logD: | 3.8884 |
| logSw: | -4.6678 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.894 |
| InChI Key: | FITSSGJCFDTYBB-UHFFFAOYSA-N |