methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate
methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate
Compound characteristics
| Compound ID: | Y032-0080 |
| Compound Name: | methyl 3-nitro-5-(pyrrolidine-1-carbonyl)benzoate |
| Molecular Weight: | 278.26 |
| Molecular Formula: | C13 H14 N2 O5 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8652 |
| logD: | 1.8652 |
| logSw: | -2.0333 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.808 |
| InChI Key: | ZBEMLXAPMNEZLX-UHFFFAOYSA-N |