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

• ChemBase ID: 81152
• Molecular Formular: C12H7Cl2IO
• Molecular Mass: 364.99385
• Monoisotopic Mass: 363.8918682
• SMILES: O(c1c(cc(cc1)Cl)Cl)c1c(cccc1)I
• Canonical SMILES: Clc1ccc(c(c1)Cl)Oc1ccccc1I
• InChI: InChI=1S/C12H7Cl2IO/c13-8-5-6-11(9(14)7-8)16-12-4-2-1-3-10(12)15/h1-7H
• InChIKey: ULAWXTPGHWKSDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 175136-78-4
• MDL Number: MFCD00052444
• PubChem SID: 162068271
• PubChem CID: 2776994

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: 29.610348 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95%