BRN 3038217
2-[3-[acetyl(ethyl)amino]-2,4,6-triiodophenyl]butanoic acid
| Molecular Formula | C14H16I3NO3 |
|---|---|
| Molecular Weight | 626.99 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 57.6 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 626.8264 |
| Heavy Atoms | 21 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 23279-54-1 |
|---|---|
| SMILES | CCC(C1=C(C(=C(C=C1I)I)N(CC)C(=O)C)I)C(=O)O |
| InChIKey | IXPFNDDSBURDAF-UHFFFAOYSA-N |
📖 Product Overview
BRN 3038217 (CAS: 23279-54-1) is a chemical compound with molecular formula C14H16I3NO3 and molecular weight 626.99 g/mol. Its IUPAC systematic name is 2-[3-[acetyl(ethyl)amino]-2,4,6-triiodophenyl]butanoic acid.
IXPFNDDSBURDAF-UHFFFAOYSA-N.
SMILES: CCC(C1=C(C(=C(C=C1I)I)N(CC)C(=O)C)I)C(=O)O.
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