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Home > Boronic Acids > 1201644-39-4
1201644-39-4 | Ethanone, 1-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-1-piperazinyl]-
CAS No: 1201644-39-4 Catalog No: AG000QFL MDL No:MFCD15529639
Product Description
Catalog Number:
AG000QFL
Chemical Name:
Ethanone, 1-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-1-piperazinyl]-
CAS Number:
1201644-39-4
Molecular Formula:
C17H26BN3O3
Molecular Weight:
331.2176
MDL Number:
MFCD15529639
IUPAC Name:
1-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]piperazin-1-yl]ethanone
InChI:
InChI=1S/C17H26BN3O3/c1-13(22)20-6-8-21(9-7-20)15-10-14(11-19-12-15)18-23-16(2,3)17(4,5)24-18/h10-12H,6-9H2,1-5H3
InChI Key:
AFGNGEILOWYDOZ-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCN(CC1)c1cncc(c1)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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