4-(3-bromopropoxy)-5-methoxy-2-nitrobenzoic acid
Chemical Structure Depiction of
4-(3-bromopropoxy)-5-methoxy-2-nitrobenzoic acid
4-(3-bromopropoxy)-5-methoxy-2-nitrobenzoic acid
Compound characteristics
| Compound ID: | 8018-3552 |
| Compound Name: | 4-(3-bromopropoxy)-5-methoxy-2-nitrobenzoic acid |
| Molecular Weight: | 334.12 |
| Molecular Formula: | C11 H12 Br N O6 |
| Smiles: | COc1cc(C(O)=O)c(cc1OCCC[Br])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3243 |
| logD: | -1.428 |
| logSw: | -2.2714 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.862 |
| InChI Key: | VIIXBOIXLOOVQC-UHFFFAOYSA-N |