BRN 3009668
2-[3-[butanoyl(butyl)amino]-2,4,6-triiodophenyl]acetic acid
| Molecular Formula | C16H20I3NO3 |
|---|---|
| Molecular Weight | 655.05 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 57.6 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 654.8577 |
| Heavy Atoms | 23 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 29193-40-6 |
|---|---|
| SMILES | CCCCN(C1=C(C=C(C(=C1I)CC(=O)O)I)I)C(=O)CCC |
| InChIKey | ZNJQNTARWXIJLR-UHFFFAOYSA-N |
📖 Product Overview
BRN 3009668 (CAS: 29193-40-6) is a chemical compound with molecular formula C16H20I3NO3 and molecular weight 655.05 g/mol. Its IUPAC systematic name is 2-[3-[butanoyl(butyl)amino]-2,4,6-triiodophenyl]acetic acid.
ZNJQNTARWXIJLR-UHFFFAOYSA-N.
SMILES: CCCCN(C1=C(C=C(C(=C1I)CC(=O)O)I)I)C(=O)CCC.
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