1-chloro-2-(4-iodophenoxy)benzene

• ChemBase ID: 75411
• Molecular Formular: C12H8ClIO
• Molecular Mass: 330.54879
• Monoisotopic Mass: 329.93084056
• SMILES: O(c1ccccc1Cl)c1ccc(cc1)I
• Canonical SMILES: Ic1ccc(cc1)Oc1ccccc1Cl
• InChI: InChI=1S/C12H8ClIO/c13-11-3-1-2-4-12(11)15-10-7-5-9(14)6-8-10/h1-8H
• InChIKey: AQMCGEUNFUCHBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2-(4-iodophenoxy)benzene
• IUPAC Traditional name: 1-chloro-2-(4-iodophenoxy)benzene
• Synonyms: 4-(2-Chlorophenoxy)iodobenzene; 1-chloro-2-(4-iodophenoxy)benzene

Database IDs

• MDL Number: MFCD06796297
• PubChem SID: 162040329
• PubChem CID: 26369337

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.006522
• LogD (pH = 7.4): 5.006522
• Log P: 5.006522
• Molar Refractivity: 70.4661 cm^3
• Polarizability: 27.636915 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.846

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%