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Structure

3,3',4,4',5-Pentachlorobiphenyl

CAS
57465-28-8
Catalog Number
ACM57465288
Category
Other Products
Molecular Weight
326.4
Molecular Formula
C12H5Cl5

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Specification

Synonyms
3,3',4,4',5-Pentachloro-1,1'-biphenyl
IUPAC Name
1,2,3-trichloro-5-(3,4-dichlorophenyl)benzene
Canonical SMILES
C1=CC(=C(C=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl)Cl
InChI Key
REHONNLQRWTIFF-UHFFFAOYSA-N
Boiling Point
409.2ºC at 760mmHg
Flash Point
206.1ºC
Density
1.522g/cm³
Complexity
247
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
7.3
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