2-chloro-5-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoic acid
2-chloro-5-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 8007-5052 |
| Compound Name: | 2-chloro-5-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoic acid |
| Molecular Weight: | 331.75 |
| Molecular Formula: | C17 H14 Cl N O4 |
| Smiles: | C1CC2C=CC1C1C2C(N(C1=O)c1ccc(c(c1)C(O)=O)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1476 |
| logD: | -1.4589 |
| logSw: | -2.8827 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.401 |
| InChI Key: | IYDXRYYGRNQATP-UHFFFAOYSA-N |