Home Boronic acids 3-Aminocarbonylphenylboronic acid, pinacol ester

3-Aminocarbonylphenylboronic acid, pinacol ester

CAS No.:
188665-74-9
Catalog Number:
AG002H3J
Molecular Formula:
C13H18BNO3
Molecular Weight:
247.0979
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$73
- +
5g
98%
In Stock USA
United States
$294
- +
Product Description
Catalog Number:
AG002H3J
Chemical Name:
3-Aminocarbonylphenylboronic acid, pinacol ester
CAS Number:
188665-74-9
Molecular Formula:
C13H18BNO3
Molecular Weight:
247.0979
MDL Number:
MFCD05663886
IUPAC Name:
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C13H18BNO3/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h5-8H,1-4H3,(H2,15,16)
InChI Key:
BPKIPHYWHVOWMS-UHFFFAOYSA-N
SMILES:
NC(=O)c1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.138g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.101g/mol
Monoisotopic Mass:
247.138g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties