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Home > Boronic Acids > 1092564-28-7
1092564-28-7 | 6-(3-Oxopiperazin-1-yl)pyridine-3-boronic acid pinacol ester
CAS No: 1092564-28-7 Catalog No: AG00HBEL MDL No:MFCD13191337
Product Description
Catalog Number:
AG00HBEL
Chemical Name:
6-(3-Oxopiperazin-1-yl)pyridine-3-boronic acid pinacol ester
CAS Number:
1092564-28-7
Molecular Formula:
C15H22BN3O3
Molecular Weight:
303.1645
MDL Number:
MFCD13191337
IUPAC Name:
4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazin-2-one
InChI:
InChI=1S/C15H22BN3O3/c1-14(2)15(3,4)22-16(21-14)11-5-6-12(18-9-11)19-8-7-17-13(20)10-19/h5-6,9H,7-8,10H2,1-4H3,(H,17,20)
InChI Key:
DDFUXLGPLZVELX-UHFFFAOYSA-N
SMILES:
O=C1NCCN(C1)c1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.175g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.169g/mol
Monoisotopic Mass:
303.175g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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