2,6-dibromo-1,5-dimethoxynaphthalene

• ChemBase ID: 15978
• Molecular Formular: C12H10Br2O2
• Molecular Mass: 346.0146
• Monoisotopic Mass: 343.90475356
• SMILES: c1c(c(c2c(c1)c(c(cc2)Br)OC)OC)Br
• Canonical SMILES: COc1c(Br)ccc2c1ccc(c2OC)Br
• InChI: InChI=1S/C12H10Br2O2/c1-15-11-7-3-6-10(14)12(16-2)8(7)4-5-9(11)13/h3-6H,1-2H3
• InChIKey: PHIFUPVGQBTQRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromo-1,5-dimethoxynaphthalene
• IUPAC Traditional name: 2,6-dibromo-1,5-dimethoxynaphthalene
• Synonyms: 2,6-Dibromo-1,5-dimethoxynaphthalene

Database IDs

• CAS Number: 91394-96-6
• MDL Number: MFCD06656533
• PubChem SID: 160979285
• PubChem CID: 14958640

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.1848855
• LogD (pH = 7.4): 4.1848855
• Log P: 4.1848855
• Molar Refractivity: 70.6802 cm^3
• Polarizability: 28.48254 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%