1-bromo-4-methoxynaphthalene

• ChemBase ID: 162938
• Molecular Formular: C11H9BrO
• Molecular Mass: 237.09256
• Monoisotopic Mass: 235.98367691
• SMILES: c12c(c(ccc1Br)OC)cccc2
• Canonical SMILES: COc1ccc(c2c1cccc2)Br
• InChI: InChI=1S/C11H9BrO/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3
• InChIKey: XURSAEHRFFSJED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-methoxynaphthalene
• IUPAC Traditional name: 1-bromo-4-methoxynaphthalene
• Synonyms: 1-Methoxy-4-bromonaphthalene; 4-Bromo-1-methoxynaphthalene; 4-Methoxy-1-bromonaphthalene; NSC 25655; 1-Bromo-4-methoxynaphthalene

Database IDs

• CAS Number: 5467-58-3
• PubChem SID: 162257073
• PubChem CID: 138521

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: 23.014925 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Oil

Product Information

• Purity: 97%

DETAILS

Toronto Research Chemicals - B684785

Synthetic intermediate.