7-[4-nitro-2-(trifluoromethyl)phenoxy]-4-phenyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[4-nitro-2-(trifluoromethyl)phenoxy]-4-phenyl-2H-1-benzopyran-2-one
7-[4-nitro-2-(trifluoromethyl)phenoxy]-4-phenyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7160 |
| Compound Name: | 7-[4-nitro-2-(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(cc1C(F)(F)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0547 |
| logD: | 5.0547 |
| logSw: | -5.0471 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.59 |
| InChI Key: | IBTLMFPNUOKLJV-UHFFFAOYSA-N |