1,5-dibromo-2,6-dimethoxynaphthalene

• ChemBase ID: 15954
• Molecular Formular: C12H10Br2O2
• Molecular Mass: 346.0146
• Monoisotopic Mass: 343.90475356
• SMILES: c1(c(ccc2c(c(ccc12)OC)Br)OC)Br
• Canonical SMILES: COc1ccc2c(c1Br)ccc(c2Br)OC
• InChI: InChI=1S/C12H10Br2O2/c1-15-9-5-3-8-7(11(9)13)4-6-10(16-2)12(8)14/h3-6H,1-2H3
• InChIKey: ISDSFEXTWVVJKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 25315-06-4
• MDL Number: MFCD06656522
• PubChem SID: 160979261
• PubChem CID: 631444

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: 28.482372 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: 97%; 98%