2,4-dibromo-6-(3,5-dibromo-2,4-dihydroxyphenyl)benzene-1,3-diol

• ChemBase ID: 59292
• Molecular Formular: C12H6Br4O4
• Molecular Mass: 533.78964
• Monoisotopic Mass: 529.69995667
• SMILES: c1(c(c(c(cc1Br)c1cc(c(c(c1O)Br)O)Br)O)Br)O
• Canonical SMILES: Brc1cc(c(c(c1O)Br)O)c1cc(Br)c(c(c1O)Br)O
• InChI: InChI=1S/C12H6Br4O4/c13-5-1-3(9(17)7(15)11(5)19)4-2-6(14)12(20)8(16)10(4)18/h1-2,17-20H
• InChIKey: OCOSYMCDPNAWPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dibromo-6-(3,5-dibromo-2,4-dihydroxyphenyl)benzene-1,3-diol
• IUPAC Traditional name: 2,4-dibromo-6-(3,5-dibromo-2,4-dihydroxyphenyl)benzene-1,3-diol
• Synonyms: 3,3',5,5'-Tetrabromobiphenyl-2,2',4,4'-tetrol; Tebrofen

Database IDs

• CAS Number: 27951-69-5
• MDL Number: MFCD00427055
• PubChem SID: 162064055
• PubChem CID: 161587

CALCULATED PROPERTIES

• Acid pKa: 6.35434
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): 5.4232306
• LogD (pH = 7.4): 3.8578718
• Log P: 5.4812202
• Molar Refractivity: 89.609 cm^3
• Polarizability: 35.774227 Å^3
• Polar Surface Area: 80.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Pharmacology Properties

• Mechanism of Action: Virus reproduction supressor

Product Information

• Application(s): Virucide