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49690-94-0

Product Name: diphenyl ether, tribromo derivative
Formula: C12H7Br3O
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COMPUTED DESCRIPTORS

Molecular Weight 406.89 g/mol
XLogP3 5.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 405.80265 g/mol
Monoisotopic Mass 403.80470 g/mol
Topological Polar Surface Area 9.2 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 224
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Tribromodiphenyl ethers are organobromine compounds, as well as polybrominated diphenyl ethers containing three bromine atoms. Polybrominated diphenyl ethers (PBDEs) are flame-retardant man-made chemicals found in plastics used in a variety of consumer products to make them difficult to burn. PBDEs exist as mixtures of similar chemicals called congeners. Because they are mixed into plastics and foams rather than bound to them, PBDEs can leave the products that contain them and enter the environment. (L628)