3-butanoyl-6,8-dichloro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-butanoyl-6,8-dichloro-2H-1-benzopyran-2-one
3-butanoyl-6,8-dichloro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K222-0419 |
| Compound Name: | 3-butanoyl-6,8-dichloro-2H-1-benzopyran-2-one |
| Molecular Weight: | 285.12 |
| Molecular Formula: | C13 H10 Cl2 O3 |
| Smiles: | CCCC(C1=Cc2cc(cc(c2OC1=O)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9646 |
| logD: | 3.9646 |
| logSw: | -4.315 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.091 |
| InChI Key: | OIZBPUZDOYEPKN-UHFFFAOYSA-N |