methyl 1-(2-chloro-4-nitrophenyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-(2-chloro-4-nitrophenyl)-1H-pyrazole-3-carboxylate
methyl 1-(2-chloro-4-nitrophenyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y507-3927 |
| Compound Name: | methyl 1-(2-chloro-4-nitrophenyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 281.65 |
| Molecular Formula: | C11 H8 Cl N3 O4 |
| Smiles: | COC(c1ccn(c2ccc(cc2[Cl])[N+]([O-])=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2084 |
| logD: | 2.2084 |
| logSw: | -3.0124 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.733 |
| InChI Key: | XFKLYWMCHWNGQF-UHFFFAOYSA-N |