1,5-dibromo-2,4-difluorobenzene

• ChemBase ID: 100520
• Molecular Formular: C6H2Br2F2
• Molecular Mass: 271.8848864
• Monoisotopic Mass: 269.8491305
• SMILES: Fc1c(cc(c(c1)F)Br)Br
• Canonical SMILES: Brc1cc(Br)c(cc1F)F
• InChI: InChI=1S/C6H2Br2F2/c7-3-1-4(8)6(10)2-5(3)9/h1-2H
• InChIKey: PPUZKAPOPPRMFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dibromo-2,4-difluorobenzene
• IUPAC Traditional name: 1,5-dibromo-2,4-difluorobenzene
• Synonyms: 1,5-Dibromo-2,4-difluorobenzene 98%

Database IDs

• CAS Number: 28342-75-8
• MDL Number: MFCD08458122
• PubChem SID: 162086917
• PubChem CID: 10564511

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: 16.114334 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant