7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-4-phenyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-4-phenyl-2H-1-benzopyran-2-one
7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-4-phenyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7161 |
| Compound Name: | 7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-4-phenyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 472.33 |
| Molecular Formula: | C22 H11 F3 N2 O7 |
| Smiles: | C1=C(c2ccccc2)c2ccc(cc2OC1=O)Oc1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6045 |
| logD: | 4.6045 |
| logSw: | -4.7101 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.456 |
| InChI Key: | SUDWXNITIONLQR-UHFFFAOYSA-N |