methyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]-5-nitrobenzoate
methyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0097 |
| Compound Name: | methyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 352.7 |
| Molecular Formula: | C15 H10 Cl F N2 O5 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8673 |
| logD: | 2.4309 |
| logSw: | -4.4382 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.885 |
| InChI Key: | PSOCGRSPVSUGOJ-UHFFFAOYSA-N |