1-(4-chlorophenyl)-4-iodobenzene

• ChemBase ID: 75407
• Molecular Formular: C12H8ClI
• Molecular Mass: 314.54939
• Monoisotopic Mass: 313.93592594
• SMILES: Ic1ccc(cc1)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)c1ccc(cc1)I
• InChI: InChI=1S/C12H8ClI/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
• InChIKey: HCHAMYGZDLHKMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chlorophenyl)-4-iodobenzene
• IUPAC Traditional name: 1-(4-chlorophenyl)-4-iodobenzene
• Synonyms: 4-(4-Chlorophenyl)iodobenzene

Database IDs

• MDL Number: MFCD03931233
• PubChem SID: 162040325
• PubChem CID: 4304230

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1534605
• LogD (pH = 7.4): 5.1534605
• Log P: 5.1534605
• Molar Refractivity: 69.3615 cm^3
• Polarizability: 28.090221 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 147-148°C

Safety Information

• Storage Warning: Harmful/Irritant/Corrosive/Light Sensitive/Keep Cold