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Home > Boronic Acids > 1073372-01-6
1073372-01-6 | 2-(4-Acetylpiperazin-1-yl)pyridine-5-boronic acid, pinacol ester
CAS No: 1073372-01-6 Catalog No: AG007WBB MDL No:MFCD09027063
Product Description
Catalog Number:
AG007WBB
Chemical Name:
2-(4-Acetylpiperazin-1-yl)pyridine-5-boronic acid, pinacol ester
CAS Number:
1073372-01-6
Molecular Formula:
C17H26BN3O3
Molecular Weight:
331.2176
MDL Number:
MFCD09027063
IUPAC Name:
1-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazin-1-yl]ethanone
InChI:
InChI=1S/C17H26BN3O3/c1-13(22)20-8-10-21(11-9-20)15-7-6-14(12-19-15)18-23-16(2,3)17(4,5)24-18/h6-7,12H,8-11H2,1-5H3
InChI Key:
RNFCDPMIZSSWDQ-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCN(CC1)c1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.207g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.223g/mol
Monoisotopic Mass:
331.207g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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