2-(benzyloxy)-1-bromo-4-fluorobenzene

• ChemBase ID: 65823
• Molecular Formular: C13H10BrFO
• Molecular Mass: 281.1203032
• Monoisotopic Mass: 279.98990516
• SMILES: c1cc(cc(c1Br)OCc1ccccc1)F
• Canonical SMILES: Fc1ccc(c(c1)OCc1ccccc1)Br
• InChI: InChI=1S/C13H10BrFO/c14-12-7-6-11(15)8-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9H2
• InChIKey: ZLVBPRJVAJMBHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-1-bromo-4-fluorobenzene
• IUPAC Traditional name: 2-(benzyloxy)-1-bromo-4-fluorobenzene
• Synonyms: 2-(Benzyloxy)-1-bromo-4-fluorobenzene

Database IDs

• CAS Number: 202857-88-3
• MDL Number: MFCD09033866
• PubChem SID: 162031562
• PubChem CID: 19261471

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: 24.887934 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%