{[(6-bromohexyl)oxy]methyl}benzene

• ChemBase ID: 293406
• Molecular Formular: C13H19BrO
• Molecular Mass: 271.19336
• Monoisotopic Mass: 270.06192723
• SMILES: BrCCCCCCOCc1ccccc1
• Canonical SMILES: BrCCCCCCOCc1ccccc1
• InChI: InChI=1S/C13H19BrO/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2
• InChIKey: UHDZRWPKYMHVNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[(6-bromohexyl)oxy]methyl}benzene
• IUPAC Traditional name: {[(6-bromohexyl)oxy]methyl}benzene
• Synonyms: (((6-Bromohexyl)oxy)methyl)benzene

Database IDs

• CAS Number: 54247-27-7
• MDL Number: MFCD02258455
• PubChem SID: 180678937
• PubChem CID: 2784764

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1654673
• LogD (pH = 7.4): 4.1654673
• Log P: 4.1654673
• Molar Refractivity: 68.6639 cm^3
• Polarizability: 26.50255 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%