1-bromo-2-chloro-3,5-difluorobenzene

• ChemBase ID: 180072
• Molecular Formular: C6H2BrClF2
• Molecular Mass: 227.4338864
• Monoisotopic Mass: 225.89964618
• SMILES: c1(c(c(cc(c1)F)F)Cl)Br
• Canonical SMILES: Fc1cc(F)c(c(c1)Br)Cl
• InChI: InChI=1S/C6H2BrClF2/c7-4-1-3(9)2-5(10)6(4)8/h1-2H
• InChIKey: NYLNBNAPLADVTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-chloro-3,5-difluorobenzene
• IUPAC Traditional name: 1-bromo-2-chloro-3,5-difluorobenzene
• Synonyms: 1-Bromo-2-chloro-3,5-difluorobenzene

Database IDs

• CAS Number: 187929-82-4
• PubChem SID: 164235982
• PubChem CID: 53420316

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: 14.91703 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true