BRN 3040151
2-[(3-acetamido-2,4,6-triiodophenyl)methyl]hexanedioic acid
| Molecular Formula | C15H16I3NO5 |
|---|---|
| Molecular Weight | 671.0 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 104.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 670.8163 |
| Heavy Atoms | 24 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 10590-22-4 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C(=C1I)CC(CCCC(=O)O)C(=O)O)I)I |
| InChIKey | CCSBZMWWQCYNDN-UHFFFAOYSA-N |
📖 Product Overview
BRN 3040151 (CAS: 10590-22-4) is a chemical compound with molecular formula C15H16I3NO5 and molecular weight 671.0 g/mol. Its IUPAC systematic name is 2-[(3-acetamido-2,4,6-triiodophenyl)methyl]hexanedioic acid.
CCSBZMWWQCYNDN-UHFFFAOYSA-N.
SMILES: CC(=O)NC1=C(C=C(C(=C1I)CC(CCCC(=O)O)C(=O)O)I)I.
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