4-chloro-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
Chemical Structure Depiction of
4-chloro-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
4-chloro-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 8009-3506 |
| Compound Name: | 4-chloro-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid |
| Molecular Weight: | 317.73 |
| Molecular Formula: | C16 H12 Cl N O4 |
| Smiles: | C1C2C=CC1C1C2C(N(C1=O)c1cc(ccc1[Cl])C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0626 |
| logD: | -0.4861 |
| logSw: | -2.8499 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.832 |
| InChI Key: | OOAQNSGOQMNMLB-UHFFFAOYSA-N |