methyl 3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoate
Chemical Structure Depiction of
methyl 3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoate
methyl 3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoate
Compound characteristics
| Compound ID: | 6228-0948 |
| Compound Name: | methyl 3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoate |
| Molecular Weight: | 261.23 |
| Molecular Formula: | C12 H11 N3 O4 |
| Smiles: | COC(c1cccc(Cn2cc(cn2)[N+]([O-])=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7574 |
| logD: | 1.7574 |
| logSw: | -1.9907 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.299 |
| InChI Key: | VTXNCCMRLCHRSJ-UHFFFAOYSA-N |