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189578-00-5 | [1,1'-Biphenyl]-4-ol, 2',3,4',6'-tetrachloro-
CAS No: 189578-00-5 Catalog No: AG002DS3 MDL No:
Product Description
Catalog Number:
AG002DS3
Chemical Name:
[1,1'-Biphenyl]-4-ol, 2',3,4',6'-tetrachloro-
CAS Number:
189578-00-5
Molecular Formula:
C12H6Cl4O
Molecular Weight:
307.9874
IUPAC Name:
2-chloro-4-(2,4,6-trichlorophenyl)phenol
InChI:
InChI=1S/C12H6Cl4O/c13-7-4-9(15)12(10(16)5-7)6-1-2-11(17)8(14)3-6/h1-5,17H
InChI Key:
WWRVCWDZLRVHCD-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c(c(c1)Cl)c1ccc(c(c1)Cl)O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.914g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.979g/mol
Monoisotopic Mass:
305.917g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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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