1,2-dibromo-3-fluorobenzene

• ChemBase ID: 100932
• Molecular Formular: C6H3Br2F
• Molecular Mass: 253.8944232
• Monoisotopic Mass: 251.85855232
• SMILES: Fc1cccc(c1Br)Br
• Canonical SMILES: Brc1c(F)cccc1Br
• InChI: InChI=1S/C6H3Br2F/c7-4-2-1-3-5(9)6(4)8/h1-3H
• InChIKey: DWNYXIICDFVJEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromo-3-fluorobenzene
• IUPAC Traditional name: 1,2-dibromo-3-fluorobenzene
• Synonyms: 1,2-Dibromo-3-fluorobenzene; 2,3-Dibromofluorobenzene 98%

Database IDs

• CAS Number: 811711-33-8
• MDL Number: MFCD07368789
• PubChem SID: 162086690
• PubChem CID: 2783154

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: 16.129486 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 15-20°C

Safety Information

• Storage Warning: Irritant/Light Sensitive