3,4-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3,4-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
3,4-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7623 |
| Compound Name: | 3,4-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 379.29 |
| Molecular Formula: | C18 H12 F3 N O5 |
| Smiles: | CC1=C(C)c2ccc(cc2OC1=O)Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.3915 |
| logD: | 4.3915 |
| logSw: | -4.5557 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.075 |
| InChI Key: | YODWRYZOLGINPX-UHFFFAOYSA-N |