1-bromo-2-chloro-4-iodobenzene

• ChemBase ID: 287779
• Molecular Formular: C6H3BrClI
• Molecular Mass: 317.34949
• Monoisotopic Mass: 315.81513778
• SMILES: Clc1cc(I)ccc1Br
• Canonical SMILES: Ic1ccc(c(c1)Cl)Br
• InChI: InChI=1S/C6H3BrClI/c7-5-2-1-4(9)3-6(5)8/h1-3H
• InChIKey: GAQKEAQMVDKCAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-chloro-4-iodobenzene
• IUPAC Traditional name: 1-bromo-2-chloro-4-iodobenzene
• Synonyms: 1-Bromo-2-chloro-4-iodobenzene

Database IDs

• CAS Number: 535934-25-9
• PubChem SID: 180673310
• PubChem CID: 2756886

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2749877
• LogD (pH = 7.4): 4.2749877
• Log P: 4.2749877
• Molar Refractivity: 51.8481 cm^3
• Polarizability: 20.585897 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%