CAS 5122-94-1 | (1,1'-Biphenyl-4-yl)boronic acid | CAS Number 5122-94-1

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5122-94-1 | (1,1'-Biphenyl-4-yl)boronic acid

CAS No: 5122-94-1 Catalog No: AG0037CN MDL No:MFCD00093311

Product Description

Catalog Number:

AG0037CN

Chemical Name:

(1,1'-Biphenyl-4-yl)boronic acid

CAS Number:

5122-94-1

Molecular Formula:

C12H11BO2

Molecular Weight:

198.0255

MDL Number:

MFCD00093311

IUPAC Name:

(4-phenylphenyl)boronic acid

InChI:

InChI=1S/C12H11BO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,14-15H

InChI Key:

XPEIJWZLPWNNOK-UHFFFAOYSA-N

SMILES:

OB(c1ccc(cc1)c1ccccc1)O

Properties

Complexity:

182

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.028g/mol

Monoisotopic Mass:

198.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
2-Bromo-p-terphen-yl.	Acta crystallographica. Section E, Structure reports online 20100401
Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors.	Journal of medicinal chemistry 20091008
Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase.	Journal of medicinal chemistry 20081127
Enhancing effect of phenylboronic acid compounds and their interactions with the diol groups of saccharides in a capillary electrophoresis-chemiluminescence detection system.	Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20070201