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158076-64-3 | [1,1'-Biphenyl]-4-ol, 2,2',3,3',4',5,5'-heptachloro-
CAS No: 158076-64-3 Catalog No: AG001PYQ MDL No:
Product Description
Catalog Number:
AG001PYQ
Chemical Name:
[1,1'-Biphenyl]-4-ol, 2,2',3,3',4',5,5'-heptachloro-
CAS Number:
158076-64-3
Molecular Formula:
C12H3Cl7O
Molecular Weight:
411.3226
IUPAC Name:
2,3,6-trichloro-4-(2,3,4,5-tetrachlorophenyl)phenol
InChI:
InChI=1S/C12H3Cl7O/c13-5-1-3(7(15)10(18)9(5)17)4-2-6(14)12(20)11(19)8(4)16/h1-2,20H
InChI Key:
NMAGXCAAKZMNOI-UHFFFAOYSA-N
SMILES:
Clc1cc(c(c(c1O)Cl)Cl)c1cc(Cl)c(c(c1Cl)Cl)Cl
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.797g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
411.305g/mol
Monoisotopic Mass:
407.8g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
Literature
| Title | Journal |
|---|---|
| Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity. | Chemistry & biology 20041201 |
| Potent inhibition of estrogen sulfotransferase by hydroxylated PCB metabolites: a novel pathway explaining the estrogenic activity of PCBs. | Endocrinology 20000501 |
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