3-(4-chlorophenyl)-5-(phenylethynyl)-2,1-benzoxazole
Chemical Structure Depiction of
3-(4-chlorophenyl)-5-(phenylethynyl)-2,1-benzoxazole
3-(4-chlorophenyl)-5-(phenylethynyl)-2,1-benzoxazole
Compound characteristics
| Compound ID: | D136-0047 |
| Compound Name: | 3-(4-chlorophenyl)-5-(phenylethynyl)-2,1-benzoxazole |
| Molecular Weight: | 329.78 |
| Molecular Formula: | C21 H12 Cl N O |
| Smiles: | C(#Cc1ccc2c(c1)c(c1ccc(cc1)[Cl])on2)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.0349 |
| logD: | 7.0349 |
| logSw: | -6.8087 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 21.4501 |
| InChI Key: | VSUUMLOTDPPXMV-UHFFFAOYSA-N |