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Home > Boronic Acids > 1033743-79-1
1033743-79-1 | 3-(4-Methylpiperazin-1-ylsulfonyl)phenylboronic acid pinacol ester
CAS No: 1033743-79-1 Catalog No: AG008URM MDL No:MFCD19288884
Product Description
Catalog Number:
AG008URM
Chemical Name:
3-(4-Methylpiperazin-1-ylsulfonyl)phenylboronic acid pinacol ester
CAS Number:
1033743-79-1
Molecular Formula:
C17H27BN2O4S
Molecular Weight:
366.2833
MDL Number:
MFCD19288884
IUPAC Name:
1-methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylpiperazine
InChI:
InChI=1S/C17H27BN2O4S/c1-16(2)17(3,4)24-18(23-16)14-7-6-8-15(13-14)25(21,22)20-11-9-19(5)10-12-20/h6-8,13H,9-12H2,1-5H3
InChI Key:
IGCKYMGZVGIVIF-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)S(=O)(=O)c1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.178g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.283g/mol
Monoisotopic Mass:
366.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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