1,2-dibromo-3-methoxybenzene

• ChemBase ID: 83784
• Molecular Formular: C7H6Br2O
• Molecular Mass: 265.92994
• Monoisotopic Mass: 263.87853881
• SMILES: O(c1c(c(ccc1)Br)Br)C
• Canonical SMILES: COc1cccc(c1Br)Br
• InChI: InChI=1S/C7H6Br2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
• InChIKey: KMUOJHYDIKYRQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09864854
• PubChem SID: 162070901
• PubChem CID: 11958056

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: 18.745796 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true