methyl 1-[(2,6-dichlorophenyl)methyl]-3-nitro-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 1-[(2,6-dichlorophenyl)methyl]-3-nitro-1H-pyrazole-4-carboxylate
methyl 1-[(2,6-dichlorophenyl)methyl]-3-nitro-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | Y507-3953 |
| Compound Name: | methyl 1-[(2,6-dichlorophenyl)methyl]-3-nitro-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 330.12 |
| Molecular Formula: | C12 H9 Cl2 N3 O4 |
| Smiles: | COC(c1cn(Cc2c(cccc2[Cl])[Cl])nc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0399 |
| logD: | 3.0399 |
| logSw: | -3.48 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.008 |
| InChI Key: | BBCAYCBNKQTZBQ-UHFFFAOYSA-N |