methyl {4-methyl-7-[4-nitro-2-(trifluoromethyl)phenoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {4-methyl-7-[4-nitro-2-(trifluoromethyl)phenoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {4-methyl-7-[4-nitro-2-(trifluoromethyl)phenoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y041-1951 |
| Compound Name: | methyl {4-methyl-7-[4-nitro-2-(trifluoromethyl)phenoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 437.33 |
| Molecular Formula: | C20 H14 F3 N O7 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(ccc12)Oc1ccc(cc1C(F)(F)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.103 |
| logD: | 4.103 |
| logSw: | -4.591 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.955 |
| InChI Key: | MZYWMJGGGRXEAL-UHFFFAOYSA-N |