9,10-dibromo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one
Chemical Structure Depiction of
9,10-dibromo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one
9,10-dibromo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one
Compound characteristics
| Compound ID: | 1328-0195 |
| Compound Name: | 9,10-dibromo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one |
| Molecular Weight: | 372.08 |
| Molecular Formula: | C13 H8 Br2 O S |
| Smiles: | c1ccc2C(c3ccsc3C(C(c2c1)[Br])[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7567 |
| logD: | 4.7567 |
| logSw: | -4.9615 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 14.3833 |
| InChI Key: | FMLHOINVMYQJPG-UHFFFAOYSA-N |