[(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetonitrile
Chemical Structure Depiction of
[(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetonitrile
[(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetonitrile
Compound characteristics
| Compound ID: | Y040-7374 |
| Compound Name: | [(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetonitrile |
| Molecular Weight: | 275.69 |
| Molecular Formula: | C14 H10 Cl N O3 |
| Smiles: | C1CC2=C(C1)c1cc(c(cc1OC2=O)OCC#N)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.7996 |
| logD: | 2.7996 |
| logSw: | -3.7093 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.443 |
| InChI Key: | XOEBMTHSOMFFTD-UHFFFAOYSA-N |