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Home > Boronic Acids > 1201644-34-9
1201644-34-9 | Piperazine, 1-(methylsulfonyl)-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-
CAS No: 1201644-34-9 Catalog No: AG000QFM MDL No:MFCD15529637
Product Description
Catalog Number:
AG000QFM
Chemical Name:
Piperazine, 1-(methylsulfonyl)-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-
CAS Number:
1201644-34-9
Molecular Formula:
C16H26BN3O4S
Molecular Weight:
367.2713
MDL Number:
MFCD15529637
IUPAC Name:
1-methylsulfonyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]piperazine
InChI:
InChI=1S/C16H26BN3O4S/c1-15(2)16(3,4)24-17(23-15)13-10-14(12-18-11-13)19-6-8-20(9-7-19)25(5,21)22/h10-12H,6-9H2,1-5H3
InChI Key:
KOUCQWJFINKWBQ-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)N1CCN(CC1)c1cncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.174g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.271g/mol
Monoisotopic Mass:
367.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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