6,7-dimethoxy-1-(trichloromethyl)-1,4-dihydro-3H-2-benzopyran-3-one
Chemical Structure Depiction of
6,7-dimethoxy-1-(trichloromethyl)-1,4-dihydro-3H-2-benzopyran-3-one
6,7-dimethoxy-1-(trichloromethyl)-1,4-dihydro-3H-2-benzopyran-3-one
Compound characteristics
| Compound ID: | 5089-0143 |
| Compound Name: | 6,7-dimethoxy-1-(trichloromethyl)-1,4-dihydro-3H-2-benzopyran-3-one |
| Molecular Weight: | 325.57 |
| Molecular Formula: | C12 H11 Cl3 O4 |
| Smiles: | COc1cc2CC(=O)OC(c2cc1OC)C([Cl])([Cl])[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6718 |
| logD: | 2.6718 |
| logSw: | -2.9756 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.425 |
| InChI Key: | CNWFLZBUBYSPCA-LLVKDONJSA-N |