CAS 28034-99-3 | 4'-Chloro-[1,1'-biphenyl]-4-ol | CAS Number 28034-99-3

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28034-99-3 | 4'-Chloro-[1,1'-biphenyl]-4-ol

CAS No: 28034-99-3 Catalog No: AG003L5G MDL No:MFCD00143298

Product Description

Catalog Number:

AG003L5G

Chemical Name:

4'-Chloro-[1,1'-biphenyl]-4-ol

CAS Number:

28034-99-3

Molecular Formula:

C12H9ClO

Molecular Weight:

204.6523

MDL Number:

MFCD00143298

IUPAC Name:

4-(4-chlorophenyl)phenol

InChI:

InChI=1S/C12H9ClO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H

InChI Key:

ICVFJPSNAUMFCW-UHFFFAOYSA-N

SMILES:

Oc1ccc(cc1)c1ccc(cc1)Cl

UNII:

IN91367N9R

NSC Number:

107539

Properties

Complexity:

167

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.034g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.653g/mol

Monoisotopic Mass:

204.034g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6

Literature

Title	Journal
Biodegradation of mono-hydroxylated PCBs by Burkholderia xenovorans.	Biotechnology letters 20121201
New hydroxylated metabolites of 4-monochlorobiphenyl in whole poplar plants.	Chemistry Central journal 20110101
Hydroxylated metabolites of 4-monochlorobiphenyl and its metabolic pathway in whole poplar plants.	Environmental science & technology 20100515
Direct inhibition of ERK1/2 phosphorylation as a possible mechanism for the antiproliferative action of 3,4-diOH-PCB3 in the MCF-7 cell line.	Toxicology letters 20091028
4'-Chloro-biphenyl-4-yl 2,2,2-trichloro-ethyl sulfate.	Acta crystallographica. Section E, Structure reports online 20081201
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	Journal of molecular graphics & modelling 20061101
Oxidative ring cleavage of low chlorinated biphenyl derivatives by fungi leads to the formation of chlorinated lactone derivatives.	Chemosphere 20060701