Butyric acid, 4-(2,4,5-triiodophenoxy)-
Basic information
- CAS
90842-75-4- Standard SMILES
O=C(O)CCCOc1cc(I)c(I)cc1I- InChIKey
MLUHQIGVNFEEDS-UHFFFAOYSA-N- Molecular formula
- C10H9I3O3
- Average molar mass
- 557.89 g/mol
- Monoisotopic mass
- 557.7686
Names & identifiers
- Preferred name
- Butyric acid, 4-(2,4,5-triiodophenoxy)-
- IUPAC
- 4-(2,4,5-triiodophenoxy)butanoic acid
Names & synonyms
BRN 2535022BUTYRIC ACID, 4-(2,4,5-TRIIODOPHENOXY)-4-(2,4,5-Triiodophenoxy)butyric acid90842-75-4DTXSID20238303RefChem:331291DTXCID001607944-(2,4,5-triiodophenoxy)butanoic acid
Database identifiers
- CAS
90842-75-4- PubChem CID
- 56131
- DTXSID
DTXSID20238303
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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