Basic information
- CAS
90917-53-6- Standard SMILES
CCC(Oc1cc(I)cc(I)c1)C(=O)O- InChIKey
WBWJWOQGLPEXSF-UHFFFAOYSA-N- Molecular formula
- C10H10I2O3
- Average molar mass
- 431.99 g/mol
- Monoisotopic mass
- 431.87194
Names & identifiers
- Preferred name
- Butyric acid, 2-(3,5-diiodophenoxy)-
- IUPAC
- 2-(3,5-diiodophenoxy)butanoic acid
Names & synonyms
BUTYRIC ACID, 2-(3,5-DIIODOPHENOXY)-90917-53-6RefChem:10804552-(3,5-Diiodophenoxy)butyric acidBRN 31377782-(3,5-diiodophenoxy)butanoic acidDTXSID30920065
Database identifiers
- CAS
90917-53-6- PubChem CID
- 56152
- DTXSID
DTXSID30920065
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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