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

• ChemBase ID: 801180
• Molecular Formular: C13H10BrClO
• Molecular Mass: 297.5749
• Monoisotopic Mass: 295.96035462
• SMILES: c1(c(cc(cc1)Br)OCc1ccccc1)Cl
• Canonical SMILES: Brc1ccc(c(c1)OCc1ccccc1)Cl
• InChI: InChI=1S/C13H10BrClO/c14-11-6-7-12(15)13(8-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
• InChIKey: CJNSNMPZMZMQJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-4-bromo-1-chlorobenzene
• IUPAC Traditional name: 2-(benzyloxy)-4-bromo-1-chlorobenzene
• Synonyms: 2-(BENZYLOXY)-4-BROMO-1-CHLOROBENZENE

Database IDs

• CAS Number: 903579-12-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.912845
• LogD (pH = 7.4): 4.912845
• Log P: 4.912845
• Molar Refractivity: 69.5614 cm^3
• Polarizability: 27.069305 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%