4-bromo-1-ethenyl-2-fluorobenzene

• ChemBase ID: 99428
• Molecular Formular: C8H6BrF
• Molecular Mass: 201.0356432
• Monoisotopic Mass: 199.96369041
• SMILES: Fc1c(ccc(c1)Br)C=C
• Canonical SMILES: C=Cc1ccc(cc1F)Br
• InChI: InChI=1S/C8H6BrF/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1H2
• InChIKey: UTDQHQCPWHTKLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-1-ethenyl-2-fluorobenzene
• IUPAC Traditional name: 4-bromo-1-ethenyl-2-fluorobenzene
• Synonyms: 4-Bromo-2-fluoro-1-vinylbenzene; 4-Bromo-1-ethenyl-2-fluorobenzene; 4-Bromo-2-fluorostyrene

Database IDs

• CAS Number: 627463-17-6
• MDL Number: MFCD09907860
• PubChem SID: 162085696
• PubChem CID: 16660774

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: 16.345425 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable/Keep Cold

DETAILS

Apollo Scientific Ltd - PC7069

Stabilised with 4-tert-Butylcatechol