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Home > Boronic Acids > 957198-23-1
957198-23-1 | 1-Piperazineethanesulfonamide, 4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS No: 957198-23-1 Catalog No: AG01EB40 MDL No:
Product Description
Catalog Number:
AG01EB40
Chemical Name:
1-Piperazineethanesulfonamide, 4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS Number:
957198-23-1
Molecular Formula:
C19H32BN3O4S
Molecular Weight:
409.3511
IUPAC Name:
2-(4-methylpiperazin-1-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanesulfonamide
InChI:
InChI=1S/C19H32BN3O4S/c1-18(2)19(3,4)27-20(26-18)16-6-8-17(9-7-16)21-28(24,25)15-14-23-12-10-22(5)11-13-23/h6-9,21H,10-15H2,1-5H3
InChI Key:
CXLMKSSOLPDPKT-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)CCS(=O)(=O)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.221g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
409.352g/mol
Monoisotopic Mass:
409.221g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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