7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-propyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-propyl-2H-1-benzopyran-2-one
7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-propyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-6993 |
| Compound Name: | 7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-propyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 393.32 |
| Molecular Formula: | C19 H14 F3 N O5 |
| Smiles: | CCCC1=CC(=O)Oc2cc(ccc12)Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.7879 |
| logD: | 4.7879 |
| logSw: | -4.6686 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.561 |
| InChI Key: | IICXTNDJFBIDDH-UHFFFAOYSA-N |