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

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Catalog Number
ACM52663782
Product Name
2,2',3,3',4,4',5,6-Octachlorobiphenyl
Structure
Structure
CAS
52663-78-2
Category
Heterocyclic Organic Compound
Synonyms
BZNO 195;2,2',3,3',4,4',5,6-OCTACHLOROBIPHENYL;PCB NO 195;PCB 195
IUPAC Name
1,2,3,4,5-pentachloro-6-(2,3,4-trichlorophenyl)benzene
Molecular Weight
429.8
Molecular Formula
C12H2Cl8
Canonical SMILES
C1=CC(=C(C(=C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl
InChI Key
JAHJITLFJSDRCG-UHFFFAOYSA-N
Boiling Point
435.6ºC at 760 mmHg
Flash Point
216.1ºC
Density
1.716 g/cm³
Complexity
323
Defined Atom Stereocenter Count
0
Exact Mass
429.7605
Formal Charge
0
H-Bond Acceptor
0
H-Bond Donor
0
Heavy Atom Count
20
Hydrogen Bond Acceptor Count
0
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
429.7605
Rotatable Bond Count
0
Topological Polar Surface Area
0 Ų
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