4-methyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-methyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
4-methyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 2279-4040 |
| Compound Name: | 4-methyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 365.26 |
| Molecular Formula: | C17 H10 F3 N O5 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.8686 |
| logD: | 3.8686 |
| logSw: | -4.181 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.561 |
| InChI Key: | GFVVGCIEHOPHIB-UHFFFAOYSA-N |