4-bromo-2-ethenyl-1-fluorobenzene

• ChemBase ID: 238650
• Molecular Formular: C8H6BrF
• Molecular Mass: 201.0356432
• Monoisotopic Mass: 199.96369041
• SMILES: c1(c(ccc(c1)Br)F)C=C
• Canonical SMILES: C=Cc1cc(Br)ccc1F
• InChI: InChI=1S/C8H6BrF/c1-2-6-5-7(9)3-4-8(6)10/h2-5H,1H2
• InChIKey: PUVIIPMVFZISRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-ethenyl-1-fluorobenzene
• IUPAC Traditional name: 4-bromo-2-ethenyl-1-fluorobenzene
• Synonyms: 4-bromo-2-ethenyl-1-fluorobenzene

Database IDs

• MDL Number: MFCD20384566
• PubChem SID: 164294560
• PubChem CID: 21933983

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6214025
• LogD (pH = 7.4): 3.6214025
• Log P: 3.6214025
• Molar Refractivity: 43.5835 cm^3
• Polarizability: 16.345436 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.872

Product Information

• Purity: 95%