2-chloro-5-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid
Chemical Structure Depiction of
2-chloro-5-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid
2-chloro-5-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 8009-0075 |
| Compound Name: | 2-chloro-5-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid |
| Molecular Weight: | 357.79 |
| Molecular Formula: | C19 H16 Cl N O4 |
| Smiles: | CC(C)=C1C2C=CC1C1C2C(N(C1=O)c1ccc(c(c1)C(O)=O)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4053 |
| logD: | -1.2012 |
| logSw: | -2.9167 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.133 |
| InChI Key: | MUMUGSSTSUBRAT-UHFFFAOYSA-N |