1,2-dichloro-4-(4-iodophenoxy)benzene

• ChemBase ID: 75409
• Molecular Formular: C12H7Cl2IO
• Molecular Mass: 364.99385
• Monoisotopic Mass: 363.8918682
• SMILES: O(c1ccc(c(c1)Cl)Cl)c1ccc(cc1)I
• Canonical SMILES: Ic1ccc(cc1)Oc1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C12H7Cl2IO/c13-11-6-5-10(7-12(11)14)16-9-3-1-8(15)2-4-9/h1-7H
• InChIKey: ZOYZSKWILBNMGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloro-4-(4-iodophenoxy)benzene
• IUPAC Traditional name: 1,2-dichloro-4-(4-iodophenoxy)benzene
• Synonyms: 4-(3,4-Dichlorophenoxy)iodobenzene

Database IDs

• MDL Number: MFCD06796295
• PubChem SID: 162040327
• PubChem CID: 26369331

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.6105666
• LogD (pH = 7.4): 5.6105666
• Log P: 5.6105666
• Molar Refractivity: 75.2709 cm^3
• Polarizability: 29.608059 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant