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

• ChemBase ID: 291298
• Molecular Formular: C6H2BrClF2
• Molecular Mass: 227.4338864
• Monoisotopic Mass: 225.89964618
• SMILES: Fc1c(F)c(Cl)cc(Br)c1
• Canonical SMILES: Brc1cc(F)c(c(c1)Cl)F
• InChI: InChI=1S/C6H2BrClF2/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
• InChIKey: NDUBECXVUHRWLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1060813-07-1
• MDL Number: MFCD11845915
• PubChem SID: 180676829
• PubChem CID: 50997843

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: 14.908464 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%