1,2-dibromo-3,4,5-trifluorobenzene

• ChemBase ID: 100038
• Molecular Formular: C6HBr2F3
• Molecular Mass: 289.8753496
• Monoisotopic Mass: 287.83970869
• SMILES: Brc1c(c(c(c(c1)F)F)F)Br
• Canonical SMILES: Fc1cc(Br)c(c(c1F)F)Br
• InChI: InChI=1S/C6HBr2F3/c7-2-1-3(9)5(10)6(11)4(2)8/h1H
• InChIKey: NTYZYDKXGZFYGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo-3,4,5-trifluorobenzene
• IUPAC Traditional name: 1,2-dibromo-3,4,5-trifluorobenzene
• Synonyms: 1,2-Dibromo-3,4,5-trifluorobenzene

Database IDs

• MDL Number: MFCD00070782
• PubChem SID: 162086258
• PubChem CID: 2773994

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9388568
• LogD (pH = 7.4): 3.9388568
• Log P: 3.9388568
• Molar Refractivity: 41.9528 cm^3
• Polarizability: 16.126465 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant