1,2,4,5-tetrachloro-3,6-dimethoxybenzene

• ChemBase ID: 290199
• Molecular Formular: C8H6Cl4O2
• Molecular Mass: 275.94404
• Monoisotopic Mass: 273.91219015
• SMILES: COc1c(Cl)c(Cl)c(OC)c(Cl)c1Cl
• Canonical SMILES: COc1c(Cl)c(Cl)c(c(c1Cl)Cl)OC
• InChI: InChI=1S/C8H6Cl4O2/c1-13-7-3(9)5(11)8(14-2)6(12)4(7)10/h1-2H3
• InChIKey: HICARXIPJINIRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,4,5-tetrachloro-3,6-dimethoxybenzene
• IUPAC Traditional name: 1,2,4,5-tetrachloro-3,6-dimethoxybenzene
• Synonyms: 1,2,4,5-Tetrachloro-3,6-dimethoxybenzene

Database IDs

• CAS Number: 944-78-5
• PubChem SID: 180675730
• PubChem CID: 13678

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.074082
• LogD (pH = 7.4): 4.074082
• Log P: 4.074082
• Molar Refractivity: 58.2036 cm^3
• Polarizability: 23.243538 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%