methyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate
methyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0102 |
| Compound Name: | methyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 296.23 |
| Molecular Formula: | C12 H12 N2 O7 |
| Smiles: | COC(CNC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1005 |
| logD: | 1.1003 |
| logSw: | -2.0515 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.058 |
| InChI Key: | OQPSCJAMVNUUFA-UHFFFAOYSA-N |