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Home > Boronic Acids > 1073353-47-5
1073353-47-5 | N-Methyl-4-benzenesulfonamideboronic acid pinacol ester
CAS No: 1073353-47-5 Catalog No: AG007ENO MDL No:MFCD06657895
Product Description
Catalog Number:
AG007ENO
Chemical Name:
N-Methyl-4-benzenesulfonamideboronic acid pinacol ester
CAS Number:
1073353-47-5
Molecular Formula:
C13H20BNO4S
Molecular Weight:
297.1782
MDL Number:
MFCD06657895
IUPAC Name:
N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
InChI:
InChI=1S/C13H20BNO4S/c1-12(2)13(3,4)19-14(18-12)10-6-8-11(9-7-10)20(16,17)15-5/h6-9,15H,1-5H3
InChI Key:
CLGYHPYEQCQBDA-UHFFFAOYSA-N
SMILES:
CNS(=O)(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.176g/mol
Monoisotopic Mass:
297.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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