2,5-dibromo-1,3-difluorobenzene

• ChemBase ID: 97799
• Molecular Formular: C6H2Br2F2
• Molecular Mass: 271.8848864
• Monoisotopic Mass: 269.8491305
• SMILES: Fc1c(c(cc(c1)Br)F)Br
• Canonical SMILES: Brc1cc(F)c(c(c1)F)Br
• InChI: InChI=1S/C6H2Br2F2/c7-3-1-4(9)6(8)5(10)2-3/h1-2H
• InChIKey: OCUXAWVQPORIBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dibromo-1,3-difluorobenzene
• IUPAC Traditional name: 2,5-dibromo-1,3-difluorobenzene
• Synonyms: 2,5-Dibromo-1,3-difluorobenzene

Database IDs

• CAS Number: 128259-71-2
• PubChem SID: 162084345
• PubChem CID: 24721227

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.796155
• LogD (pH = 7.4): 3.796155
• Log P: 3.796155
• Molar Refractivity: 41.7364 cm^3
• Polarizability: 16.114555 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true