methyl 1-[(2-chloro-4-fluorophenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylate
Chemical Structure Depiction of
methyl 1-[(2-chloro-4-fluorophenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylate
methyl 1-[(2-chloro-4-fluorophenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylate
Compound characteristics
| Compound ID: | Y507-3975 |
| Compound Name: | methyl 1-[(2-chloro-4-fluorophenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylate |
| Molecular Weight: | 313.67 |
| Molecular Formula: | C12 H9 Cl F N3 O4 |
| Smiles: | COC(c1cc(nn1Cc1ccc(cc1[Cl])F)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.438 |
| logD: | 2.438 |
| logSw: | -3.0876 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.216 |
| InChI Key: | UJEVPGSUCUQCRS-UHFFFAOYSA-N |