BRN 3476634
3-acetamido-5-(heptanoylamino)-2,4,6-triiodobenzoic acid
| Molecular Formula | C16H19I3N2O4 |
|---|---|
| Molecular Weight | 684.05 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 95.5 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 683.8479 |
| Heavy Atoms | 25 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 67011-41-0 |
|---|---|
| SMILES | CCCCCCC(=O)NC1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)O)I |
| InChIKey | HESZIOFDZNOPPU-UHFFFAOYSA-N |
📖 Product Overview
BRN 3476634 (CAS: 67011-41-0) is a chemical compound with molecular formula C16H19I3N2O4 and molecular weight 684.05 g/mol. Its IUPAC systematic name is 3-acetamido-5-(heptanoylamino)-2,4,6-triiodobenzoic acid.
HESZIOFDZNOPPU-UHFFFAOYSA-N.
SMILES: CCCCCCC(=O)NC1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)O)I.
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