CAS 4151-80-8 | 4,4'-Biphenyldiyldiboronic acid | CAS Number 4151-80-8

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4151-80-8 | 4,4'-Biphenyldiyldiboronic acid

CAS No: 4151-80-8 Catalog No: AG0033UI MDL No:MFCD00151795

Product Description

Catalog Number:

AG0033UI

Chemical Name:

4,4'-Biphenyldiyldiboronic acid

CAS Number:

4151-80-8

Molecular Formula:

C12H12B2O4

Molecular Weight:

241.8433

MDL Number:

MFCD00151795

IUPAC Name:

[4-(4-boronophenyl)phenyl]boronic acid

InChI:

InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H

InChI Key:

SLHKDOGTVUCXKX-UHFFFAOYSA-N

SMILES:

OB(c1ccc(cc1)c1ccc(cc1)B(O)O)O

Properties

Complexity:

221

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.092g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

241.844g/mol

Monoisotopic Mass:

242.092g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Structural study of phenyl boronic acid derivatives as AmpC beta-lactamase inhibitors.	Bioorganic & medicinal chemistry letters 20100601
Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors.	Journal of medicinal chemistry 20091008
A new class of iridium complexes suitable for stepwise incorporation into linear assemblies: synthesis, electrochemistry, and luminescence.	Inorganic chemistry 20080804
Structure-based approach for binding site identification on AmpC beta-lactamase.	Journal of medicinal chemistry 20020718