6-chloro-7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-4-phenyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-4-phenyl-2H-1-benzopyran-2-one
6-chloro-7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-4-phenyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7196 |
| Compound Name: | 6-chloro-7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-4-phenyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 506.78 |
| Molecular Formula: | C22 H10 Cl F3 N2 O7 |
| Smiles: | C1=C(c2ccccc2)c2cc(c(cc2OC1=O)Oc1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.505 |
| logD: | 5.505 |
| logSw: | -6.0714 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.543 |
| InChI Key: | SHWKRHUPNIBWRW-UHFFFAOYSA-N |