1-bromo-2,4-dichloro-5-fluorobenzene

• ChemBase ID: 796913
• Molecular Formular: C6H2BrCl2F
• Molecular Mass: 243.8884832
• Monoisotopic Mass: 241.87009564
• SMILES: c1(c(cc(c(c1)F)Cl)Cl)Br
• Canonical SMILES: Fc1cc(Br)c(cc1Cl)Cl
• InChI: InChI=1S/C6H2BrCl2F/c7-3-1-6(10)5(9)2-4(3)8/h1-2H
• InChIKey: HNCWLJLWAVCZDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2,4-dichloro-5-fluorobenzene
• IUPAC Traditional name: 1-bromo-2,4-dichloro-5-fluorobenzene
• Synonyms: 1-BroMo-2,4-dichloro-5-fluorobenzene

Database IDs

• CAS Number: 1481-63-6

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0927896
• LogD (pH = 7.4): 4.0927896
• Log P: 4.0927896
• Molar Refractivity: 43.5068 cm^3
• Polarizability: 16.991367 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%