Basic information
- CAS
90842-04-9- Standard SMILES
CCC(Oc1c(I)c(I)cc(I)c1I)C(=O)O- InChIKey
OKBWNDLFCQSPBB-UHFFFAOYSA-N- Molecular formula
- C10H8I4O3
- Average molar mass
- 683.79 g/mol
- Monoisotopic mass
- 683.6652
Names & identifiers
- Preferred name
- Butyric acid, 2-(2,3,5,6-tetraiodophenoxy)-
- IUPAC
- 2-(2,3,5,6-tetraiodophenoxy)butanoic acid
Names & synonyms
BUTYRIC ACID, 2-(2,3,5,6-TETRAIODOPHENOXY)-90842-04-9RefChem:1080451BRN 33840182-(2,3,5,6-Tetraiodophenoxy)butyric acid2-(2,3,5,6-tetraiodophenoxy)butanoic acidDTXSID50920128
Database identifiers
- CAS
90842-04-9- PubChem CID
- 56128
- DTXSID
DTXSID50920128
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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