1,4-dibromo-2-methoxybenzene

• ChemBase ID: 287775
• Molecular Formular: C7H6Br2O
• Molecular Mass: 265.92994
• Monoisotopic Mass: 263.87853881
• SMILES: COc1cc(Br)ccc1Br
• Canonical SMILES: COc1cc(Br)ccc1Br
• InChI: InChI=1S/C7H6Br2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3
• InChIKey: YJGNTPRGNRICPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dibromo-2-methoxybenzene
• IUPAC Traditional name: 1,4-dibromo-2-methoxybenzene
• Synonyms: 2,5-Dibromoanisole

Database IDs

• CAS Number: 95970-08-4
• MDL Number: MFCD07780698
• PubChem SID: 180673306
• PubChem CID: 13399557

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3530798
• LogD (pH = 7.4): 3.3530798
• Log P: 3.3530798
• Molar Refractivity: 47.7668 cm^3
• Polarizability: 18.740507 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%