5-(4-nitrophenoxy)-2-[3-(trifluoromethyl)phenyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-(4-nitrophenoxy)-2-[3-(trifluoromethyl)phenyl]-1H-isoindole-1,3(2H)-dione
5-(4-nitrophenoxy)-2-[3-(trifluoromethyl)phenyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | R052-1021 |
| Compound Name: | 5-(4-nitrophenoxy)-2-[3-(trifluoromethyl)phenyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 428.32 |
| Molecular Formula: | C21 H11 F3 N2 O5 |
| Smiles: | c1cc(cc(c1)N1C(c2ccc(cc2C1=O)Oc1ccc(cc1)[N+]([O-])=O)=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.3169 |
| logD: | 5.3169 |
| logSw: | -5.7772 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.009 |
| InChI Key: | KZALODHSMCKUII-UHFFFAOYSA-N |