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Home > Boronic Acids > 1256360-27-6
1256360-27-6 | N-(2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanesulfonamide
CAS No: 1256360-27-6 Catalog No: AG009BRH MDL No:MFCD16660308
Product Description
Catalog Number:
AG009BRH
Chemical Name:
N-(2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanesulfonamide
CAS Number:
1256360-27-6
Molecular Formula:
C14H22BNO5S
Molecular Weight:
327.2042
MDL Number:
MFCD16660308
IUPAC Name:
N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
InChI:
InChI=1S/C14H22BNO5S/c1-13(2)14(3,4)21-15(20-13)10-7-8-12(19-5)11(9-10)16-22(6,17)18/h7-9,16H,1-6H3
InChI Key:
NZSTWDFNWRRIAK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NS(=O)(=O)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.131g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.202g/mol
Monoisotopic Mass:
327.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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