1-chloro-4-fluoro-2-iodobenzene

• ChemBase ID: 100014
• Molecular Formular: C6H3ClFI
• Molecular Mass: 256.4438932
• Monoisotopic Mass: 255.895204
• SMILES: Ic1c(ccc(c1)F)Cl
• Canonical SMILES: Fc1ccc(c(c1)I)Cl
• InChI: InChI=1S/C6H3ClFI/c7-5-2-1-4(8)3-6(5)9/h1-3H
• InChIKey: RAHHKUWCBDUSPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-4-fluoro-2-iodobenzene
• IUPAC Traditional name: 1-chloro-4-fluoro-2-iodobenzene
• Synonyms: 1-Chloro-4-fluoro-2-iodobenzene; 2-Chloro-5-fluoroiodobenzene 97%

Database IDs

• CAS Number: 202982-68-1
• MDL Number: MFCD00042575
• PubChem SID: 162086326
• PubChem CID: 2756247

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.648937
• LogD (pH = 7.4): 3.648937
• Log P: 3.648937
• Molar Refractivity: 44.4417 cm^3
• Polarizability: 17.342781 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Keep Cold