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4-Biphenylboronic acid

CAT: 1410-M37933-01Size: 1 EachDry Ice: NoHazardous: No
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Description
4-Biphenylboronic acid is a boric acid substance widely used in medicine and other fields.
CAS Number
5122-94-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
198.03
Molecular Formula
C12H11BO2
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

1,1'-Biphenyl-4-yl-boronic acid
CAS Number5122-94-1
PubChem CID151253
IUPAC Name(4-phenylphenyl)boronic acid
Molecular FormulaC12H11BO2
Molecular Weight198.03
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity182
SMILES
B(C1=CC=C(C=C1)C2=CC=CC=C2)(O)O
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
InChIKey
XPEIJWZLPWNNOK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1'-Biphenyl-4-yl-boronic acid
CAS: 5122-94-1
CID: 151253
Formula: C12H11BO2
MW: 198.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.03
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass198.0852098
Monoisotopic Mass198.0852098
Topological Polar Surface Area40.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity182
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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