1,3-dibromo-2-methoxybenzene

• ChemBase ID: 180461
• Molecular Formular: C7H6Br2O
• Molecular Mass: 265.92994
• Monoisotopic Mass: 263.87853881
• SMILES: COc1c(cccc1Br)Br
• Canonical SMILES: COc1c(Br)cccc1Br
• InChI: InChI=1S/C7H6Br2O/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
• InChIKey: BMZVDHQOAJUZJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dibromo-2-methoxybenzene
• IUPAC Traditional name: 1,3-dibromo-2-methoxybenzene
• Synonyms: 1,3-dibromo-2-methoxybenzene; 2,6-Dibromoanisole

Database IDs

• CAS Number: 38603-09-7
• MDL Number: MFCD00093270
• PubChem SID: 164236371
• PubChem CID: 181584

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: 18.747095 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%