2-(2,4-Diiodophenoxy)butanoic acid

HCID 56149

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Basic information

CAS: 90917-50-3
Standard SMILES: CCC(Oc1ccc(I)cc1I)C(=O)O
InChIKey: OJBQXQKDTBWHEG-UHFFFAOYSA-N
Molecular formula: C10H10I2O3
Average molar mass: 431.99 g/mol
Monoisotopic mass: 431.87194

Names & identifiers

Preferred name: 2-(2,4-Diiodophenoxy)butanoic acid
IUPAC: 2-(2,4-diiodophenoxy)butanoic acid

Names & synonyms

2-(2,4-diiodophenoxy)butanoic acid90917-50-3DTXSID10920068RefChem:1060751DTXCID3013489872-(2,4-Diiodophenoxy)butyric acidBRN 3301623BUTYRIC ACID, 2-(2,4-DIIODOPHENOXY)-

Database identifiers

CAS: 90917-50-3
PubChem CID: 56149
DTXSID: DTXSID10920068

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 223

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