7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-8-methyl-4-phenyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-8-methyl-4-phenyl-2H-1-benzopyran-2-one
7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-8-methyl-4-phenyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7234 |
| Compound Name: | 7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-8-methyl-4-phenyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 486.36 |
| Molecular Formula: | C23 H13 F3 N2 O7 |
| Smiles: | Cc1c(ccc2C(=CC(=O)Oc12)c1ccccc1)Oc1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2914 |
| logD: | 5.2914 |
| logSw: | -5.4884 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.227 |
| InChI Key: | AWSONBFDYYYENA-UHFFFAOYSA-N |