2-(4-bromo-3-methylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-bromo-3-methylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-(4-bromo-3-methylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K603-0136 |
| Compound Name: | 2-(4-bromo-3-methylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 332.19 |
| Molecular Formula: | C16 H14 Br N O2 |
| Smiles: | Cc1cc(ccc1[Br])N1C(C2C3CC(C=C3)C2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9223 |
| logD: | 2.9223 |
| logSw: | -2.9948 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.7245 |
| InChI Key: | OKWADUGBVLWSTN-UHFFFAOYSA-N |