1,3-dibromo-2-fluorobenzene

• ChemBase ID: 291655
• Molecular Formular: C6H3Br2F
• Molecular Mass: 253.8944232
• Monoisotopic Mass: 251.85855232
• SMILES: Fc1c(Br)cccc1Br
• Canonical SMILES: Brc1cccc(c1F)Br
• InChI: InChI=1S/C6H3Br2F/c7-4-2-1-3-5(8)6(4)9/h1-3H
• InChIKey: GPPYYGWYUFOWSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1435-54-7
• MDL Number: MFCD13194294
• PubChem SID: 180677186
• PubChem CID: 14071460

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.653453
• LogD (pH = 7.4): 3.653453
• Log P: 3.653453
• Molar Refractivity: 41.52 cm^3
• Polarizability: 16.130527 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%