7-(2,4-dinitrophenoxy)-4-(trifluoromethyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-(2,4-dinitrophenoxy)-4-(trifluoromethyl)-2H-1-benzopyran-2-one
7-(2,4-dinitrophenoxy)-4-(trifluoromethyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y043-7146 |
| Compound Name: | 7-(2,4-dinitrophenoxy)-4-(trifluoromethyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 396.23 |
| Molecular Formula: | C16 H7 F3 N2 O7 |
| Smiles: | C1=C(c2ccc(cc2OC1=O)Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.3605 |
| logD: | 3.3605 |
| logSw: | -4.0063 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.942 |
| InChI Key: | GZRBRPIECWHIKU-UHFFFAOYSA-N |