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14962-28-8 | [1,1'-Biphenyl]-4-ol, 2',4',6'-trichloro-
CAS No: 14962-28-8 Catalog No: AG001LVU MDL No:
Product Description
Catalog Number:
AG001LVU
Chemical Name:
[1,1'-Biphenyl]-4-ol, 2',4',6'-trichloro-
CAS Number:
14962-28-8
Molecular Formula:
C12H7Cl3O
Molecular Weight:
273.5424
IUPAC Name:
4-(2,4,6-trichlorophenyl)phenol
InChI:
InChI=1S/C12H7Cl3O/c13-8-5-10(14)12(11(15)6-8)7-1-3-9(16)4-2-7/h1-6,16H
InChI Key:
LTQJFLVGNGVJCX-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1c(Cl)cc(cc1Cl)Cl
UNII:
03KW6RT30C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.956g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.537g/mol
Monoisotopic Mass:
271.956g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Literature
| Title | Journal |
|---|---|
| Detection and measurement of the agonistic activities of PCBs and mono-hydroxylated PCBs to the constitutive androstane receptor using a recombinant yeast assay. | Toxicology in vitro : an international journal published in association with BIBRA 20151001 |
| Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. | Journal of molecular graphics & modelling 20061101 |
| Long-term effects of neonatal exposure to hydroxylated polychlorinated biphenyls in the BALB/cCrgl mouse. | Environmental health perspectives 20050801 |
| Increased [3H]phorbol ester binding in rat cerebellar granule cells and inhibition of 45Ca(2+) buffering in rat cerebellum by hydroxylated polychlorinated biphenyls. | Neurotoxicology 20030301 |
| Differential activation of wild-type and variant forms of estrogen receptor alpha by synthetic and natural estrogenic compounds using a promoter containing three estrogen-responsive elements. | The Journal of steroid biochemistry and molecular biology 20010701 |
| 4-hydroxy-2',4',6'-trichlorobiphenyl and 4-hydroxy-2',3',4',5'-tetrachlorobiphenyl are estrogenic in rainbow trout. | Environmental toxicology and chemistry 20010201 |
| Toxicology of environmental estrogens. | Reproduction, fertility, and development 20010101 |
| Several synthetic chemicals inhibit progesterone receptor-mediated transactivation in yeast. | Biochemical and biophysical research communications 19970407 |
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