1,2,3,4-tetrabromo-5-(2,3,4,5-tetrabromophenoxy)benzene

• ChemBase ID: 76427
• Molecular Formular: C12H2Br8O
• Molecular Mass: 801.37568
• Monoisotopic Mass: 793.35726068
• SMILES: Brc1cc(c(c(c1Br)Br)Br)Oc1c(c(c(c(c1)Br)Br)Br)Br
• Canonical SMILES: Brc1cc(Oc2cc(Br)c(c(c2Br)Br)Br)c(c(c1Br)Br)Br
• InChI: InChI=1S/C12H2Br8O/c13-3-1-5(9(17)11(19)7(3)15)21-6-2-4(14)8(16)12(20)10(6)18/h1-2H
• InChIKey: ORYGKUIDIMIRNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrabromo-5-(2,3,4,5-tetrabromophenoxy)benzene
• IUPAC Traditional name: 1,2,3,4-tetrabromo-5-(2,3,4,5-tetrabromophenoxy)benzene
• Synonyms: 1,1'-Oxybis(2,3,4,5-tetrabromobenzene)

Database IDs

• MDL Number: MFCD00137473
• PubChem SID: 162041332
• PubChem CID: 6537506

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.623554
• LogD (pH = 7.4): 9.623554
• Log P: 9.623554
• Molar Refractivity: 113.2812 cm^3
• Polarizability: 45.495502 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 221-222°C

Safety Information

• Storage Warning: Toxic/Teratogenic