2-methylbut-3-yn-2-yl 4-chlorobenzoate
Chemical Structure Depiction of
2-methylbut-3-yn-2-yl 4-chlorobenzoate
2-methylbut-3-yn-2-yl 4-chlorobenzoate
Compound characteristics
| Compound ID: | 8009-7197 |
| Compound Name: | 2-methylbut-3-yn-2-yl 4-chlorobenzoate |
| Molecular Weight: | 222.67 |
| Molecular Formula: | C12 H11 Cl O2 |
| Smiles: | CC(C)(C#C)OC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.055 |
| logD: | 3.055 |
| logSw: | -3.446 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 19.9847 |
| InChI Key: | QNCXKLYWTUIZKS-UHFFFAOYSA-N |