methyl 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoate
Chemical Structure Depiction of
methyl 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoate
methyl 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoate
Compound characteristics
| Compound ID: | Y504-9061 |
| Compound Name: | methyl 3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoate |
| Molecular Weight: | 295.68 |
| Molecular Formula: | C12 H10 Cl N3 O4 |
| Smiles: | COC(c1cccc(Cn2cc(c(n2)[N+]([O-])=O)[Cl])c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3574 |
| logD: | 2.3574 |
| logSw: | -3.205 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.008 |
| InChI Key: | BAAFVWNLIUBTNG-UHFFFAOYSA-N |