6,8-dibromo-4-(2-chlorophenyl)-7-hydroxy-2-oxo-2H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
6,8-dibromo-4-(2-chlorophenyl)-7-hydroxy-2-oxo-2H-1-benzopyran-3-carbonitrile
6,8-dibromo-4-(2-chlorophenyl)-7-hydroxy-2-oxo-2H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-8678 |
| Compound Name: | 6,8-dibromo-4-(2-chlorophenyl)-7-hydroxy-2-oxo-2H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C16 H6 Br2 Cl N O3 |
| Smiles: | C(C1=C(c2ccccc2[Cl])c2cc(c(c(c2OC1=O)[Br])O)[Br])#N |
| Stereo: | ACHIRAL |
| logP: | 5.1027 |
| logD: | 3.0226 |
| logSw: | -5.0078 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.108 |
| InChI Key: | GYYSUQMQFXUVML-UHFFFAOYSA-N |