methyl 4-[(3,4-dinitro-1H-pyrazol-1-yl)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(3,4-dinitro-1H-pyrazol-1-yl)methyl]benzoate
methyl 4-[(3,4-dinitro-1H-pyrazol-1-yl)methyl]benzoate
Compound characteristics
| Compound ID: | Y501-6427 |
| Compound Name: | methyl 4-[(3,4-dinitro-1H-pyrazol-1-yl)methyl]benzoate |
| Molecular Weight: | 306.23 |
| Molecular Formula: | C12 H10 N4 O6 |
| Smiles: | COC(c1ccc(Cn2cc(c(n2)[N+]([O-])=O)[N+]([O-])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7728 |
| logD: | 1.7728 |
| logSw: | -2.0668 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 102.089 |
| InChI Key: | CXTVIHXKWSZXPT-UHFFFAOYSA-N |