3-tert-butyl-1-(3-chlorophenyl)-1H-pyrazol-5-yl 4-chloro-3-nitrobenzoate
Chemical Structure Depiction of
3-tert-butyl-1-(3-chlorophenyl)-1H-pyrazol-5-yl 4-chloro-3-nitrobenzoate
3-tert-butyl-1-(3-chlorophenyl)-1H-pyrazol-5-yl 4-chloro-3-nitrobenzoate
Compound characteristics
| Compound ID: | V011-8107 |
| Compound Name: | 3-tert-butyl-1-(3-chlorophenyl)-1H-pyrazol-5-yl 4-chloro-3-nitrobenzoate |
| Molecular Weight: | 434.28 |
| Molecular Formula: | C20 H17 Cl2 N3 O4 |
| Smiles: | CC(C)(C)c1cc(n(c2cccc(c2)[Cl])n1)OC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7256 |
| logD: | 5.7256 |
| logSw: | -6.0548 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.191 |
| InChI Key: | HMILWMFGGMAKAL-UHFFFAOYSA-N |