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Home Boronic acids 3-Cyanophenylboronic acid

3-Cyanophenylboronic acid

CAS No.:
150255-96-2
Catalog Number:
AG001MG2
Molecular Formula:
C7H6BNO2
Molecular Weight:
146.9390
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
10g
95%
In Stock USA
United States
$22
- +
25g
95%
In Stock USA
United States
$52
- +
Product Description
Catalog Number:
AG001MG2
Chemical Name:
3-Cyanophenylboronic acid
CAS Number:
150255-96-2
Molecular Formula:
C7H6BNO2
Molecular Weight:
146.9390
MDL Number:
MFCD01318967
IUPAC Name:
(3-cyanophenyl)boronic acid
InChI:
InChI=1S/C7H6BNO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,10-11H
InChI Key:
XDBHWPLGGBLUHH-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)B(O)O
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.049g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
146.94g/mol
Monoisotopic Mass:
147.049g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing. Journal of medicinal chemistry 20111222
Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase. Journal of medicinal chemistry 20081127
Properties