2-(3,5-Diiodo-4-methoxyphenoxy)butanoic acid
Basic information
- CAS
91349-85-8- Standard SMILES
CCC(Oc1cc(I)c(OC)c(I)c1)C(=O)O- InChIKey
YFZQTRLAZMNAGO-UHFFFAOYSA-N- Molecular formula
- C11H12I2O4
- Average molar mass
- 462.02 g/mol
- Monoisotopic mass
- 461.8825
Names & identifiers
- Preferred name
- 2-(3,5-Diiodo-4-methoxyphenoxy)butanoic acid
- IUPAC
- 2-(3,5-diiodo-4-methoxyphenoxy)butanoic acid
Names & synonyms
91349-85-82-(3,5-diiodo-4-methoxyphenoxy)butanoic acidDTXSID40919804RefChem:1061025DTXCID401348728BRN 33706522-(3,5-Diiodo-4-methoxyphenoxy)butyric acidBUTYRIC ACID, 2-(3,5-DIIODO-4-METHOXYPHENOXY)-4-06-00-05786 (Beilstein Handbook Reference)
Database identifiers
- CAS
91349-85-8- PubChem CID
- 56221
- DTXSID
DTXSID40919804
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 250
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Related reactions
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Compound notes
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