3-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid
Chemical Structure Depiction of
3-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid
3-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 6131-0195F |
| Compound Name: | 3-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid |
| Molecular Weight: | 305.72 |
| Molecular Formula: | C15 H12 Cl N O4 |
| Smiles: | C1C=C(CC2C1C(N(C2=O)c1cccc(c1)C(O)=O)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.19 |
| logD: | -0.4996 |
| logSw: | -2.8506 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.48 |
| InChI Key: | DVZAXOPJQHOGRB-UHFFFAOYSA-N |