Home Boronic acids 4-(4-Methylpiperazinocarbonyl)phenylboronic acid, pinacol ester

4-(4-Methylpiperazinocarbonyl)phenylboronic acid, pinacol ester

CAS No.:
955407-62-2
Catalog Number:
AG00IJ78
Molecular Formula:
C18H28BClN2O3
Molecular Weight:
366.6905
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$188
- +
5g
96%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00IJ78
Chemical Name:
4-(4-Methylpiperazinocarbonyl)phenylboronic acid, pinacol ester
CAS Number:
955407-62-2
Molecular Formula:
C18H28BClN2O3
Molecular Weight:
366.6905
MDL Number:
MFCD15142969
IUPAC Name:
(4-methylpiperazin-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone;hydrochloride
InChI:
InChI=1S/C18H27BN2O3.ClH/c1-17(2)18(3,4)24-19(23-17)15-8-6-14(7-9-15)16(22)21-12-10-20(5)11-13-21;/h6-9H,10-13H2,1-5H3;1H
InChI Key:
KGFACZAHAULJPC-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C.Cl
Properties
Complexity:
451  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.188g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
366.693g/mol
Monoisotopic Mass:
366.188g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties