1,2,3,4,5-pentabromo-6-fluorobenzene

• ChemBase ID: 95433
• Molecular Formular: C6Br5F
• Molecular Mass: 490.5826032
• Monoisotopic Mass: 485.59008822
• SMILES: Fc1c(c(c(c(c1Br)Br)Br)Br)Br
• Canonical SMILES: Brc1c(F)c(Br)c(c(c1Br)Br)Br
• InChI: InChI=1S/C6Br5F/c7-1-2(8)4(10)6(12)5(11)3(1)9
• InChIKey: VJIBAQYQQGAGKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4,5-pentabromo-6-fluorobenzene
• IUPAC Traditional name: 1,2,3,4,5-pentabromo-6-fluorobenzene
• Synonyms: 1,2,3,4,5-pentabromo-6-fluorobenzene

Database IDs

• MDL Number: MFCD00114672
• PubChem SID: 162082082
• PubChem CID: 2779770

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.959711
• LogD (pH = 7.4): 5.959711
• Log P: 5.959711
• Molar Refractivity: 64.3884 cm^3
• Polarizability: 25.957521 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false