6-bromo-2-methoxynaphthalene-1-carbaldehyde

• ChemBase ID: 804783
• Molecular Formular: C12H9BrO2
• Molecular Mass: 265.10266
• Monoisotopic Mass: 263.97859153
• SMILES: c1cc2c(cc1Br)ccc(c2C=O)OC
• Canonical SMILES: O=Cc1c(OC)ccc2c1ccc(c2)Br
• InChI: InChI=1S/C12H9BrO2/c1-15-12-5-2-8-6-9(13)3-4-10(8)11(12)7-14/h2-7H,1H3
• InChIKey: FZEXYGLVXBZDPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-methoxynaphthalene-1-carbaldehyde
• IUPAC Traditional name: 6-bromo-2-methoxynaphthalene-1-carbaldehyde
• Synonyms: 6-BROMO-2-METHOXYNAPHTHALENE-1-CARBALDEHYDE

Database IDs

• CAS Number: 247174-18-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2863064
• LogD (pH = 7.4): 3.2863064
• Log P: 3.2863064
• Molar Refractivity: 63.1782 cm^3
• Polarizability: 24.940641 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%