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2,4-Difluorophenylboronic acid

CAT: 0931-TYD-00006-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0931-TYD-00006-01Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
144025-03-6
Bioactivity
2,4-Difluorophenylboronic acid is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
Smiles
FC1=CC=C(B(O)O)C(F)=C1
Molecular Formula
C6H5BF2O2
Molecular Weight
157.911
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,4-Difluorophenylboronic acid
CAS Number144025-03-6
PubChem CID2734334
IUPAC Name(2,4-difluorophenyl)boronic acid
Molecular FormulaC6H5BF2O2
Molecular Weight157.91
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity134
SMILES
B(C1=C(C=C(C=C1)F)F)(O)O
InChI
InChI=1S/C6H5BF2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H
InChIKey
QQLRSCZSKQTFGY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Difluorophenylboronic acid
CAS: 144025-03-6
CID: 2734334
Formula: C6H5BF2O2
MW: 157.91
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight157.91
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass158.0350659
Monoisotopic Mass158.0350659
Topological Polar Surface Area40.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity134
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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