2-(2,4,5-Triiodophenoxy)butanoic acid

HCID 56129

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Basic information

CAS: 90842-73-2
Standard SMILES: CCC(Oc1cc(I)c(I)cc1I)C(=O)O
InChIKey: CBIKABIUCPBNCS-UHFFFAOYSA-N
Molecular formula: C10H9I3O3
Average molar mass: 557.89 g/mol
Monoisotopic mass: 557.7686

Names & identifiers

Preferred name: 2-(2,4,5-Triiodophenoxy)butanoic acid
IUPAC: 2-(2,4,5-triiodophenoxy)butanoic acid

Names & synonyms

2-(2,4,5-triiodophenoxy)butanoic acid90842-73-2DTXSID90920127RefChem:1060738DTXCID1013490462-(2,4,5-Triiodophenoxy)butyric acidBRN 3326084BUTYRIC ACID, 2-(2,4,5-TRIIODOPHENOXY)-

Database identifiers

CAS: 90842-73-2
PubChem CID: 56129
DTXSID: DTXSID90920127

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 249

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