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3-Furanboronic acid

CAT: 0013-GTR19245558-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19245558-01Size:5 g
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Description
3-Furanboronic acid is a furanboronic acid in which the furan acts as a π-externally oriented heteroaromatic compound. In chemical synthesis, it has good reactivity with various 2-benzofuranboronic acids. With only a small amount of catalyst, it successfully reacts with 3-bromothiophene, 2,3-bromopyridine or 3-bromoquinoline. The coordination between the heteroatom and the palladium center prevents any toxic effects.
CAS Number
55552-70-0
Smiles
OB (O) C1=COC=C1
Molecular Formula
C4H5BO3
Molecular Weight
111.892
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Furan-3-boronic acid
CAS Number55552-70-0
PubChem CID2734358
IUPAC Namefuran-3-ylboronic acid
Molecular FormulaC4H5BO3
Molecular Weight111.89
Topological Polar Surface Area53.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity75
SMILES
B(C1=COC=C1)(O)O
InChI
InChI=1S/C4H5BO3/c6-5(7)4-1-2-8-3-4/h1-3,6-7H
InChIKey
CYEFKCRAAGLNHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Furan-3-boronic acid
CAS: 55552-70-0
CID: 2734358
Formula: C4H5BO3
MW: 111.89
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight111.89
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass112.0331742
Monoisotopic Mass112.0331742
Topological Polar Surface Area53.6 Ų
Heavy Atom Count8
Formal Charge0
Complexity75.7
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