3-(3-chloro-4-fluoroanilino)-4-phenylcyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3-chloro-4-fluoroanilino)-4-phenylcyclobut-3-ene-1,2-dione
3-(3-chloro-4-fluoroanilino)-4-phenylcyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0425 |
| Compound Name: | 3-(3-chloro-4-fluoroanilino)-4-phenylcyclobut-3-ene-1,2-dione |
| Molecular Weight: | 301.7 |
| Molecular Formula: | C16 H9 Cl F N O2 |
| Smiles: | c1ccc(cc1)C1=C(C(C1=O)=O)Nc1ccc(c(c1)[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.8079 |
| logD: | 3.1886 |
| logSw: | -4.2486 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.894 |
| InChI Key: | HJUQVENMBJVSDS-UHFFFAOYSA-N |