6-bromo-1-methoxynaphthalene

• ChemBase ID: 798171
• Molecular Formular: C11H9BrO
• Molecular Mass: 237.09256
• Monoisotopic Mass: 235.98367691
• SMILES: c1cc2c(cc1Br)cccc2OC
• Canonical SMILES: COc1cccc2c1ccc(c2)Br
• InChI: InChI=1S/C11H9BrO/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-7H,1H3
• InChIKey: SKRSSNLRBLWLCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-1-methoxynaphthalene
• IUPAC Traditional name: 6-bromo-1-methoxynaphthalene
• Synonyms: 6-bromo-1-methoxyNaphthalene

Database IDs

• CAS Number: 54828-63-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.573804
• LogD (pH = 7.4): 3.573804
• Log P: 3.573804
• Molar Refractivity: 56.5942 cm^3
• Polarizability: 23.011246 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%