2-(3-chloro-4-methylphenyl)-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(3-chloro-4-methylphenyl)-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-(3-chloro-4-methylphenyl)-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 4483-2545 |
| Compound Name: | 2-(3-chloro-4-methylphenyl)-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 289.76 |
| Molecular Formula: | C16 H16 Cl N O2 |
| Smiles: | CC1C=CCC2C1C(N(C2=O)c1ccc(C)c(c1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.063 |
| logD: | 3.063 |
| logSw: | -3.3252 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.072 |
| InChI Key: | YJYBJJNQNDWZSY-UHFFFAOYSA-N |