7-chloro-3-[3-(trifluoromethyl)phenyl]-4H-1-benzopyran-4-one
Chemical Structure Depiction of
7-chloro-3-[3-(trifluoromethyl)phenyl]-4H-1-benzopyran-4-one
7-chloro-3-[3-(trifluoromethyl)phenyl]-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | V029-1278 |
| Compound Name: | 7-chloro-3-[3-(trifluoromethyl)phenyl]-4H-1-benzopyran-4-one |
| Molecular Weight: | 324.68 |
| Molecular Formula: | C16 H8 Cl F3 O2 |
| Smiles: | C1=C(C(c2ccc(cc2O1)[Cl])=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.7754 |
| logD: | 4.7754 |
| logSw: | -5.0213 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 20.86 |
| InChI Key: | PVSPFPWJKRNRPG-UHFFFAOYSA-N |