HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 68304821Generated: October 26, 2026
Tert-butyl 7-iodo-4a-methyl-3,4,4a,9a-tetrahydro[1]benzofuro[2,3-c]pyridine-2(1H)-carboxylate
https://huagongshe.com/en/chemical/68304821
Identifiers & Physical Properties
| Molecular formula | C17H22INO3 |
|---|
| Average molar mass | 415.27 g/mol |
|---|
| Monoisotopic mass | 415.06444 g/mol |
|---|
| SMILES | CC(C)(C)OC(=O)N1CCC2(C)c3ccc(I)cc3OC2C1 |
|---|
| InChIKey | MCTHEZWVMDTQKH-UHFFFAOYSA-N |
|---|
| PubChem CID | 68304821 |
|---|
Chemical & Physical Properties
| XLogP | 4 |
|---|
| Topological polar surface area | 38.8 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 3 |
|---|
| Rotatable bonds | 2 |
|---|
| Heavy atoms | 22 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 450 |
|---|
![Tert-butyl 7-iodo-4a-methyl-3,4,4a,9a-tetrahydro[1]benzofuro[2,3-c]pyridine-2(1H)-carboxylate molecular structure](/img/chemical/68304821.png)