1-bromo-4-ethoxy-2-fluorobenzene

• ChemBase ID: 242462
• Molecular Formular: C8H8BrFO
• Molecular Mass: 219.0509232
• Monoisotopic Mass: 217.9742551
• SMILES: c1(cc(ccc1Br)OCC)F
• Canonical SMILES: CCOc1ccc(c(c1)F)Br
• InChI: InChI=1S/C8H8BrFO/c1-2-11-6-3-4-7(9)8(10)5-6/h3-5H,2H2,1H3
• InChIKey: ZLECMIQMTYRKRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18447607
• PubChem SID: 164298372
• PubChem CID: 21995743

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.083837
• LogD (pH = 7.4): 3.083837
• Log P: 3.083837
• Molar Refractivity: 45.109 cm^3
• Polarizability: 17.305103 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.785

Product Information

• Purity: 95%