Home Boronic acids 2-Acetamido-5-aminophenylboronic acid, pinacol ester, HCl

2-Acetamido-5-aminophenylboronic acid, pinacol ester, HCl

CAS No.:
1218791-41-3
Catalog Number:
AG0016BH
Molecular Formula:
C14H22BClN2O3
Molecular Weight:
312.6001
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$250
- +
1g
96%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG0016BH
Chemical Name:
2-Acetamido-5-aminophenylboronic acid, pinacol ester, HCl
CAS Number:
1218791-41-3
Molecular Formula:
C14H22BClN2O3
Molecular Weight:
312.6001
MDL Number:
MFCD12546537
IUPAC Name:
N-[4-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;hydrochloride
InChI:
InChI=1S/C14H21BN2O3.ClH/c1-9(18)17-12-7-6-10(16)8-11(12)15-19-13(2,3)14(4,5)20-15;/h6-8H,16H2,1-5H3,(H,17,18);1H
InChI Key:
ATYIXMCKKKZHOY-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1B1OC(C(O1)(C)C)(C)C)N.Cl
Properties
Complexity:
371  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.141g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
312.601g/mol
Monoisotopic Mass:
312.141g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties