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Structure

2,2',4,6,6'-Pentachlorobiphenyl

CAS
56558-16-8
Catalog Number
ACM56558168
Category
Other Products
Molecular Weight
326.4
Molecular Formula
C12H5Cl5

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Specification

Synonyms
1,1'-Biphenyl, 2,2',4,6,6'-pentachloro-
IUPAC Name
1,3,5-trichloro-2-(2,6-dichlorophenyl)benzene
Canonical SMILES
C1=CC(=C(C(=C1)Cl)C2=C(C=C(C=C2Cl)Cl)Cl)Cl
InChI Key
MTCPZNVSDFCBBE-UHFFFAOYSA-N
Boiling Point
341.6ºC at 760 mmHg
Flash Point
156.1ºC
Density
1.522 g/cm³
Complexity
237
Defined Atom Stereocenter Count
0
Exact Mass
325.8804
Formal Charge
0
H-Bond Acceptor
0
H-Bond Donor
0
Heavy Atom Count
17
Hydrogen Bond Acceptor Count
0
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
325.8804
Rotatable Bond Count
1
Topological Polar Surface Area
0 Ų
XLogP3-AA
5.8
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