Home Boronic acids 2-(N,N-Diethylaminocarbonyl)phenylboronic acid

2-(N,N-Diethylaminocarbonyl)phenylboronic acid

CAS No.:
129112-21-6
Catalog Number:
AG000YVR
Molecular Formula:
C11H16BNO3
Molecular Weight:
221.0606
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$217
- +
5g
95%
In Stock USA
United States
$972
- +
Product Description
Catalog Number:
AG000YVR
Chemical Name:
2-(N,N-Diethylaminocarbonyl)phenylboronic acid
CAS Number:
129112-21-6
Molecular Formula:
C11H16BNO3
Molecular Weight:
221.0606
MDL Number:
MFCD01318988
IUPAC Name:
[2-(diethylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C11H16BNO3/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12(15)16/h5-8,15-16H,3-4H2,1-2H3
InChI Key:
TULUDWZVHWOWHZ-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1ccccc1B(O)O)CC
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.122g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.063g/mol
Monoisotopic Mass:
221.122g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties