1-bromo-4-ethyl-2-fluorobenzene

• ChemBase ID: 290000
• Molecular Formular: C8H8BrF
• Molecular Mass: 203.0515232
• Monoisotopic Mass: 201.97934048
• SMILES: Fc1cc(CC)ccc1Br
• Canonical SMILES: CCc1ccc(c(c1)F)Br
• InChI: InChI=1S/C8H8BrF/c1-2-6-3-4-7(9)8(10)5-6/h3-5H,2H2,1H3
• InChIKey: GTBMBEKUGNUTLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 928304-44-3
• PubChem SID: 180675531
• PubChem CID: 66570675

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8426905
• LogD (pH = 7.4): 3.8426905
• Log P: 3.8426905
• Molar Refractivity: 43.5394 cm^3
• Polarizability: 16.470901 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%