7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-phenyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-phenyl-2H-1-benzopyran-2-one
7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-phenyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y042-8167 |
| Compound Name: | 7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-phenyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 427.33 |
| Molecular Formula: | C22 H12 F3 N O5 |
| Smiles: | C1=C(c2ccccc2)c2ccc(cc2OC1=O)Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.8442 |
| logD: | 4.8442 |
| logSw: | -4.9631 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.289 |
| InChI Key: | QKYIGIHNYQOENW-UHFFFAOYSA-N |