tetrabromobisphenol A

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 195
Total Number of Articles : 139
PubChem 6618
Molecular Formula

C15H12Br4O2

SMILES

CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br

InChI

InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3

synonyms
  • Tetrabromobisphenol A
  • 79-94-7
  • 3,3',5,5'-Tetrabromobisphenol A
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Properties
Property Value
MW 543.9 g/mol
HBD 2
HBA 2
Rotatable Bond Count 2
Exact Mass 543.75298 g/mol
Monoisotopic Mass 539.75708 g/mol
Heavy Atom Count 21
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 310
xlogp 6.8
Topological Polar Surface Area 40.5