2-(difluoromethyl)-5,7-dimethyl-6,8-dinitro-4H-1-benzopyran-4-one
Chemical Structure Depiction of
2-(difluoromethyl)-5,7-dimethyl-6,8-dinitro-4H-1-benzopyran-4-one
2-(difluoromethyl)-5,7-dimethyl-6,8-dinitro-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 4022-0031 |
| Compound Name: | 2-(difluoromethyl)-5,7-dimethyl-6,8-dinitro-4H-1-benzopyran-4-one |
| Molecular Weight: | 314.2 |
| Molecular Formula: | C12 H8 F2 N2 O6 |
| Smiles: | Cc1c2C(C=C(C(F)F)Oc2c(c(C)c1[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9477 |
| logD: | 2.9477 |
| logSw: | -3.2711 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.3 |
| InChI Key: | QFDPCJHUNBIJNT-UHFFFAOYSA-N |