4-chlorobut-2-yn-1-yl 4-nitrobenzoate
Chemical Structure Depiction of
4-chlorobut-2-yn-1-yl 4-nitrobenzoate
4-chlorobut-2-yn-1-yl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 8014-7792 |
| Compound Name: | 4-chlorobut-2-yn-1-yl 4-nitrobenzoate |
| Molecular Weight: | 253.64 |
| Molecular Formula: | C11 H8 Cl N O4 |
| Smiles: | C(C#CC[Cl])OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.15 |
| logD: | 3.15 |
| logSw: | -3.2664 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.668 |
| InChI Key: | MZPXFYZLZQQVRD-UHFFFAOYSA-N |