1-bromo-4-chloro-2,5-difluorobenzene

• ChemBase ID: 180240
• Molecular Formular: C6H2BrClF2
• Molecular Mass: 227.4338864
• Monoisotopic Mass: 225.89964618
• SMILES: c1c(c(cc(c1F)Br)F)Cl
• Canonical SMILES: Fc1cc(Br)c(cc1Cl)F
• InChI: InChI=1S/C6H2BrClF2/c7-3-1-6(10)4(8)2-5(3)9/h1-2H
• InChIKey: QVXGDUWCYGGRHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-chloro-2,5-difluorobenzene
• IUPAC Traditional name: 1-bromo-4-chloro-2,5-difluorobenzene
• Synonyms: 1-bromo-4-chloro-2,5-difluorobenzene

Database IDs

• CAS Number: 172921-33-4
• PubChem SID: 164236150
• PubChem CID: 23270179

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.631447
• LogD (pH = 7.4): 3.631447
• Log P: 3.631447
• Molar Refractivity: 38.9184 cm^3
• Polarizability: 14.915558 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true