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2,2',3,3',4,5,5',6'-Octabromobiphenyl

HCID 154402
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Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
69887-11-2
Standard SMILES
Brc1cc(-c2c(Br)c(Br)cc(Br)c2Br)c(Br)c(Br)c1Br
InChIKey
SKGYJIOAIRCMIC-UHFFFAOYSA-N
Molecular formula
C12H2Br8
Average molar mass
785.4 g/mol
Monoisotopic mass
777.36234686

Overview

See also: 2,2',3,3',4,5',6,6'-Octabromobiphenyl (annotation moved to).

Names & identifiers

Preferred name
2,2',3,3',4,5,5',6'-Octabromobiphenyl
IUPAC
1,2,3,4-tetrabromo-5-(2,3,5,6-tetrabromophenyl)benzene

Names & synonyms

2,2',3,3',4,5,5',6'-Octabromobiphenyl69887-11-263U98D87R31,1'-Biphenyl, 2,2',3,3',4,5,5',6'-octabromo-UNII-63U98D87R3SCHEMBL31070426DTXSID80220168SKGYJIOAIRCMIC-UHFFFAOYSA-NNS00125330Q27263657

Database identifiers

CAS
69887-11-2
PubChem CID
154402
DTXSID
DTXSID80220168
UNII
63U98D87R3

Properties

Computed structural properties

XLogP
9.1
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
20
Formal charge
0
Complexity
325

Related reactions

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Compound notes

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