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Home > Boronic Acids > 1256359-12-2

1256359-12-2

1256359-12-2 | N-(Methylsulfonyl)-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanesulfonamide

CAS No: 1256359-12-2 Catalog No: AG009BR3 MDL No:MFCD16660300

Product Description

Catalog Number:
AG009BR3
Chemical Name:
N-(Methylsulfonyl)-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanesulfonamide
CAS Number:
1256359-12-2
Molecular Formula:
C14H22BNO6S2
Molecular Weight:
375.2686
MDL Number:
MFCD16660300
IUPAC Name:
N-methylsulfonyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
InChI:
InChI=1S/C14H22BNO6S2/c1-13(2)14(3,4)22-15(21-13)11-7-9-12(10-8-11)16(23(5,17)18)24(6,19)20/h7-10H,1-6H3
InChI Key:
UTQKTMCTMGKKBE-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)N(S(=O)(=O)C)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C

Properties

Complexity:
621  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.098g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.261g/mol
Monoisotopic Mass:
375.098g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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