2-chloro-5-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzoic acid
2-chloro-5-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 8007-7402 |
| Compound Name: | 2-chloro-5-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzoic acid |
| Molecular Weight: | 333.73 |
| Molecular Formula: | C16 H12 Cl N O5 |
| Smiles: | CC12C=CC(C3C1C(N(C3=O)c1ccc(c(c1)C(O)=O)[Cl])=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4589 |
| logD: | -2.1477 |
| logSw: | -2.587 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.209 |
| InChI Key: | FYFGEWYFSABBCF-UHFFFAOYSA-N |