2-(2,5-Diiodophenoxy)butanoic acid

HCID 56150

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Basic information

CAS: 90917-51-4
Standard SMILES: CCC(Oc1cc(I)ccc1I)C(=O)O
InChIKey: XMQISUZPHCNGCH-UHFFFAOYSA-N
Molecular formula: C10H10I2O3
Average molar mass: 431.99 g/mol
Monoisotopic mass: 431.87194

Names & identifiers

Preferred name: 2-(2,5-Diiodophenoxy)butanoic acid
IUPAC: 2-(2,5-diiodophenoxy)butanoic acid

Names & synonyms

2-(2,5-diiodophenoxy)butanoic acid90917-51-4DTXSID50920067RefChem:1060759DTXCID6013489862-(2,5-Diiodophenoxy)butyric acidBRN 3301574BUTYRIC ACID, 2-(2,5-DIIODOPHENOXY)-

Database identifiers

CAS: 90917-51-4
PubChem CID: 56150
DTXSID: DTXSID50920067

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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