Home Boronic acids 4-(Piperazine-1-carbonyl)phenylboronic acid, pinacol ester

4-(Piperazine-1-carbonyl)phenylboronic acid, pinacol ester

CAS No.:
864754-07-4
Catalog Number:
AG004WHT
Molecular Formula:
C17H25BN2O3
Molecular Weight:
316.2030
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$72
- +
1g
98%
In Stock USA
United States
$119
- +
5g
98%
In Stock USA
United States
$357
- +
Product Description
Catalog Number:
AG004WHT
Chemical Name:
4-(Piperazine-1-carbonyl)phenylboronic acid, pinacol ester
CAS Number:
864754-07-4
Molecular Formula:
C17H25BN2O3
Molecular Weight:
316.2030
MDL Number:
MFCD06657704
IUPAC Name:
piperazin-1-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
InChI:
InChI=1S/C17H25BN2O3/c1-16(2)17(3,4)23-18(22-16)14-7-5-13(6-8-14)15(21)20-11-9-19-10-12-20/h5-8,19H,9-12H2,1-4H3
InChI Key:
OBWNKFAHYIGNHE-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)N1CCNCC1
Properties
Complexity:
425  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.196g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
316.208g/mol
Monoisotopic Mass:
316.196g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties