2-bromo-1-methoxynaphthalene

• ChemBase ID: 288521
• Molecular Formular: C11H9BrO
• Molecular Mass: 237.09256
• Monoisotopic Mass: 235.98367691
• SMILES: COc1c2ccccc2ccc1Br
• Canonical SMILES: COc1c(Br)ccc2c1cccc2
• InChI: InChI=1S/C11H9BrO/c1-13-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
• InChIKey: UOVMWQHKZYGAGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1-methoxynaphthalene
• IUPAC Traditional name: 2-bromo-1-methoxynaphthalene
• Synonyms: 2-Bromo-1-methoxynaphthalene

Database IDs

• CAS Number: 62012-54-8
• PubChem SID: 180674052
• PubChem CID: 12612830

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: 23.018879 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%