Basic information
- CAS
24338-95-2- Standard SMILES
CCC(Oc1c(I)cc(I)c(NC(C)=O)c1I)C(=O)O- InChIKey
BQWQMNUOZHVWMQ-UHFFFAOYSA-N- Molecular formula
- C12H12I3NO4
- Average molar mass
- 614.94 g/mol
- Monoisotopic mass
- 614.7901
Names & identifiers
- Preferred name
- Butyric acid, 2-(3-acetamido-2,4,6-triiodophenoxy)-
- IUPAC
- 2-(3-acetamido-2,4,6-triiodophenoxy)butanoic acid
Names & synonyms
BRN 26718522-(3-Acetamido-2,4,6-triiodophenoxy)butyric acid24338-95-2BUTYRIC ACID, 2-(3-ACETAMIDO-2,4,6-TRIIODOPHENOXY)-RefChem:331245DTXSID609471692-{3-[(1-Hydroxyethylidene)amino]-2,4,6-triiodophenoxy}butanoic acid
Database identifiers
- CAS
24338-95-2- PubChem CID
- 32293
- DTXSID
DTXSID60947169
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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