1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl 4-chloro-3-nitrobenzoate
Chemical Structure Depiction of
1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl 4-chloro-3-nitrobenzoate
1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl 4-chloro-3-nitrobenzoate
Compound characteristics
| Compound ID: | V011-5836 |
| Compound Name: | 1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl 4-chloro-3-nitrobenzoate |
| Molecular Weight: | 437.81 |
| Molecular Formula: | C22 H13 Cl F N3 O4 |
| Smiles: | c1ccc(cc1)c1cc(n(c2ccc(cc2)F)n1)OC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4189 |
| logD: | 5.4189 |
| logSw: | -6.0559 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.92 |
| InChI Key: | LCOZWWSOGZKQFW-UHFFFAOYSA-N |