7-[2,4-dinitro-6-(trifluoromethyl)phenoxy]-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[2,4-dinitro-6-(trifluoromethyl)phenoxy]-4-methyl-2H-1-benzopyran-2-one
7-[2,4-dinitro-6-(trifluoromethyl)phenoxy]-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-6924 |
| Compound Name: | 7-[2,4-dinitro-6-(trifluoromethyl)phenoxy]-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 410.26 |
| Molecular Formula: | C17 H9 F3 N2 O7 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.8063 |
| logD: | 3.8063 |
| logSw: | -4.1841 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.029 |
| InChI Key: | ZGAPKYPAYXJBMH-UHFFFAOYSA-N |