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2,2',3,3',4,5,6-Heptabromodiphenyl ether

CAS: 68928-80-3
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68928-80-3

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1 PBDE 173
2 KP7XAX4OX9
3 2,2',3,3',4,5,6-Heptabromodiphenyl ether
4 Benzene, 1,2,3,4,5-pentabromo-6-(2,3-dibromophenoxy)-
5 RefChem:1058824

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Molecular Formula C12H3Br7O
Canonical SMILES
Isomeric SMILES
Molecular Weight 722.5000
InChIKey NLBLNZDNOSSGPW-UHFFFAOYSA-N
InChI InChI=1S/C12H3Br7O/c13-4-2-1-3-5(6(4)14)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H
XLogP 8.3000
ExactMass 721.4406
MonoisotopicMass 715.4468
TPSA 9.2000
Complexity 315.0000
Charge 0.0000
HBondDonorCount 0
HBondAcceptorCount 1
RotatableBondCount 2
HeavyAtomCount 20
IsotopeAtomCount 0
AtomStereoCount 0
DefinedAtomStereoCount 0
UndefinedAtomStereoCount 0
BondStereoCount 0
DefinedBondStereoCount 0
UndefinedBondStereoCount 0
CovalentUnitCount 1
PatentCount 136
PatentFamilyCount 77
LiteratureCount 26