Products for Research Use Only

4-Nitrophenylboronic acid

CAT: 0013-GTR19246188-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19246188-01Size:50 g
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Description
4-Nitrophenylboronic 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.
CAS Number
24067-17-2
Smiles
OB (C1=CC=C ([N+] ([O-]) =O) C=C1) O
Molecular Formula
C6H6BNO4
Molecular Weight
166.927
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Nitrophenylboronic acid
CAS Number24067-17-2
PubChem CID2773552
IUPAC Name(4-nitrophenyl)boronic acid
Molecular FormulaC6H6BNO4
Molecular Weight166.93
Topological Polar Surface Area86.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity161
SMILES
B(C1=CC=C(C=C1)[N+](=O)[O-])(O)O
InChI
InChI=1S/C6H6BNO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,9-10H
InChIKey
NSFJAFZHYOAMHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Nitrophenylboronic acid
CAS: 24067-17-2
CID: 2773552
Formula: C6H6BNO4
MW: 166.93
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight166.93
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass167.0389878
Monoisotopic Mass167.0389878
Topological Polar Surface Area86.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity161
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