Name: Name:1,1'-Biphenyl,2,2',3,4,4',5,6,6'-octachloro-
Brand: Angene
SKU: AG008PY8
Rating: 90 (10 reviews)

1,1'-Biphenyl,2,2',3,4,4',5,6,6'-octachloro-

CAS No.:

74472-52-9

Catalog Number:

AG008PY8

Molecular Formula:

C12H2Cl8

Molecular Weight:

429.7683

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Purity

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Price(USD)

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Product Description

Catalog Number:

AG008PY8

Chemical Name:

1,1'-Biphenyl,2,2',3,4,4',5,6,6'-octachloro-

CAS Number:

74472-52-9

Molecular Formula:

C12H2Cl8

Molecular Weight:

429.7683

MDL Number:

MFCD00152687

IUPAC Name:

1,2,3,4,5-pentachloro-6-(2,4,6-trichlorophenyl)benzene

InChI:

InChI=1S/C12H2Cl8/c13-3-1-4(14)6(5(15)2-3)7-8(16)10(18)12(20)11(19)9(7)17/h1-2H

InChI Key:

JDZUWXRNKHXZFE-UHFFFAOYSA-N

SMILES:

Clc1cc(Cl)c(c(c1)Cl)c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl

UNII:

LJJ2UNV2AD

Properties

Complexity:

311

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

429.761g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

429.748g/mol

Monoisotopic Mass:

425.766g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

7.5

Literature

Title	Journal
A cohort study of in utero polychlorinated biphenyl (PCB) exposures in relation to secondary sex ratio.	Environmental health : a global access science source 20080101

Properties