1,5-dibromo-2,4-dimethoxybenzene

• ChemBase ID: 79275
• Molecular Formular: C8H8Br2O2
• Molecular Mass: 295.95592
• Monoisotopic Mass: 293.8891035
• SMILES: Brc1c(cc(c(c1)Br)OC)OC
• Canonical SMILES: COc1cc(OC)c(cc1Br)Br
• InChI: InChI=1S/C8H8Br2O2/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4H,1-2H3
• InChIKey: SVPXSTJZZSDWIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dibromo-2,4-dimethoxybenzene
• IUPAC Traditional name: 1,5-dibromo-2,4-dimethoxybenzene
• Synonyms: 1,5-Dibromo-2,4-dimethoxybenzene

Database IDs

• CAS Number: 24988-36-1
• MDL Number: MFCD00061097
• PubChem SID: 162044038
• PubChem CID: 2729617

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1954086
• LogD (pH = 7.4): 3.1954086
• Log P: 3.1954086
• Molar Refractivity: 54.23 cm^3
• Polarizability: 21.308683 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant