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4-Pyridineboronic Acid

CAT: 0572-TRC-P991355-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P991355-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1692-15-5
Hazard Statement
Causes skin irritation
Smiles
OB(O)c1ccncc1
Molecular Formula
C5 H6 B N O2
Molecular Weight
122.92
InChI
InChI=1S/C5H6BNO2/c8-6(9)5-1-3-7-4-2-5/h1-4,8-9H
Additionnal Information
IUPAC name: pyridin-4-ylboronic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(Pyridin-4-yl)boronic acid
CAS Number1692-15-5
PubChem CID2734379
IUPAC Namepyridin-4-ylboronic acid
Molecular FormulaC5H6BNO2
Molecular Weight122.92
Topological Polar Surface Area53.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity83
SMILES
B(C1=CC=NC=C1)(O)O
InChI
InChI=1S/C5H6BNO2/c8-6(9)5-1-3-7-4-2-5/h1-4,8-9H
InChIKey
QLULGIRFKAWHOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Pyridin-4-yl)boronic acid
CAS: 1692-15-5
CID: 2734379
Formula: C5H6BNO2
MW: 122.92
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.92
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass123.0491586
Monoisotopic Mass123.0491586
Topological Polar Surface Area53.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity83
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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sc-2170074-Pyridineboronic Acid
sc-2267844-Pyridineboronic acid pinacol ester
sc-2665853-Chloro-4-pyridineboronic acid
sc-2601082-Pyridineboronic acid
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OR360144-012- (Methoxycarbonyl) -4-pyridineboronic acid, pinacol ester
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