2-[(2-chloroacetamido)methyl]-3,4,5-trimethoxybenzoic acid
Chemical Structure Depiction of
2-[(2-chloroacetamido)methyl]-3,4,5-trimethoxybenzoic acid
2-[(2-chloroacetamido)methyl]-3,4,5-trimethoxybenzoic acid
Compound characteristics
| Compound ID: | 8010-3103 |
| Compound Name: | 2-[(2-chloroacetamido)methyl]-3,4,5-trimethoxybenzoic acid |
| Molecular Weight: | 317.72 |
| Molecular Formula: | C13 H16 Cl N O6 |
| Smiles: | COc1cc(C(O)=O)c(CNC(C[Cl])=O)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 1.7732 |
| logD: | -0.1458 |
| logSw: | -2.2171 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.183 |
| InChI Key: | BAPHPKUPVBZACQ-UHFFFAOYSA-N |