1-(benzyloxy)-3-bromo-5-fluorobenzene

• ChemBase ID: 309867
• Molecular Formular: C13H10BrFO
• Molecular Mass: 281.1203032
• Monoisotopic Mass: 279.98990516
• SMILES: c1(cc(cc(c1)Br)F)OCc1ccccc1
• Canonical SMILES: Fc1cc(OCc2ccccc2)cc(c1)Br
• InChI: InChI=1S/C13H10BrFO/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
• InChIKey: GNKNCAKNJIQBSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(benzyloxy)-3-bromo-5-fluorobenzene
• IUPAC Traditional name: 1-(benzyloxy)-3-bromo-5-fluorobenzene
• Synonyms: 1-(benzyloxy)-3-bromo-5-fluorobenzene

Database IDs

• CAS Number: 130722-44-0
• MDL Number: MFCD13181618

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4515023
• LogD (pH = 7.4): 4.4515023
• Log P: 4.4515023
• Molar Refractivity: 64.973 cm^3
• Polarizability: 24.881132 Å^3
• Polar Surface Area: 9.23 Å^2