7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 3330-4081 |
| Compound Name: | 7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 396.23 |
| Molecular Formula: | C16 H7 F3 N2 O7 |
| Smiles: | C1=Cc2ccc(cc2OC1=O)Oc1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4334 |
| logD: | 3.4334 |
| logSw: | -3.993 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.728 |
| InChI Key: | JMWLSLDFDGBCNV-UHFFFAOYSA-N |