HuagongsheHuagongshe Chemistry Print Report · For research reference only
Butanoic acid, 2-(m-(2-(3-amino-2,4,6-triiodophenyl)acetamido)phenoxy)-
2-[3-[[2-(3-amino-2,4,6-triiodo-phenyl)acetyl]amino]phenoxy]butanoic acid

Identifiers & Physical Properties
| CAS No. | 22708-55-0 |
|---|---|
| Molecular formula | C18H17I3N2O4 |
| Average molar mass | 706.1 g/mol |
| Monoisotopic mass | 705.8322 g/mol |
| SMILES | CCC(Oc1cccc(NC(=O)Cc2c(I)cc(I)c(N)c2I)c1)C(=O)O |
| InChIKey | ZDJNIHYAEHEKJB-UHFFFAOYSA-N |
| PubChem CID | 211237 |
| DTXSID | DTXSID60945387 |
Chemical & Physical Properties
| XLogP | 4.5 |
|---|---|
| Topological polar surface area | 102 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 7 |
| Heavy atoms | 27 |
| Formal charge | 0 |
| Complexity | 525 |