1,3-dichloro-5-(4-iodophenyl)benzene

• ChemBase ID: 75408
• Molecular Formular: C12H7Cl2I
• Molecular Mass: 348.99445
• Monoisotopic Mass: 347.89695358
• SMILES: Ic1ccc(cc1)c1cc(cc(c1)Cl)Cl
• Canonical SMILES: Ic1ccc(cc1)c1cc(Cl)cc(c1)Cl
• InChI: InChI=1S/C12H7Cl2I/c13-10-5-9(6-11(14)7-10)8-1-3-12(15)4-2-8/h1-7H
• InChIKey: KPZLMPOJBITKPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dichloro-5-(4-iodophenyl)benzene
• IUPAC Traditional name: 1,3-dichloro-5-(4-iodophenyl)benzene
• Synonyms: 4-(3,5-Dichlorophenyl)iodobenzene; 3,5-Dichloro-4'-iodobiphenyl

Database IDs

• MDL Number: MFCD06796294
• PubChem SID: 162040326
• PubChem CID: 44118710

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.757505
• LogD (pH = 7.4): 5.757505
• Log P: 5.757505
• Molar Refractivity: 74.1663 cm^3
• Polarizability: 30.031578 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant