3-(4-chloro-2-fluoroanilino)-4-phenylcyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-chloro-2-fluoroanilino)-4-phenylcyclobut-3-ene-1,2-dione
3-(4-chloro-2-fluoroanilino)-4-phenylcyclobut-3-ene-1,2-dione
Compound characteristics
Compound ID: | E470-0436 |
Compound Name: | 3-(4-chloro-2-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(cc1F)[Cl] |
Stereo: | ACHIRAL |
logP: | 4.023 |
logD: | 3.3991 |
logSw: | -4.3528 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 35.197 |
InChI Key: | HBRAWCNODGCLGI-UHFFFAOYSA-N |