methyl 1-[(3,4-dichlorophenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylate
Chemical Structure Depiction of
methyl 1-[(3,4-dichlorophenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylate
methyl 1-[(3,4-dichlorophenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylate
Compound characteristics
| Compound ID: | Y507-3983 |
| Compound Name: | methyl 1-[(3,4-dichlorophenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylate |
| Molecular Weight: | 330.12 |
| Molecular Formula: | C12 H9 Cl2 N3 O4 |
| Smiles: | COC(c1cc(nn1Cc1ccc(c(c1)[Cl])[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.858 |
| logD: | 2.858 |
| logSw: | -3.4026 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.216 |
| InChI Key: | QTUZLOYTXYDROK-UHFFFAOYSA-N |