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Home > Boronic Acids > 957121-13-0
957121-13-0 | N-(4-Fluorophenyl) 4-boronobenzenesulfonamide
CAS No: 957121-13-0 Catalog No: AG00IJE9 MDL No:MFCD09800889
Product Description
Catalog Number:
AG00IJE9
Chemical Name:
N-(4-Fluorophenyl) 4-boronobenzenesulfonamide
CAS Number:
957121-13-0
Molecular Formula:
C12H11BFNO4S
Molecular Weight:
295.0944
MDL Number:
MFCD09800889
IUPAC Name:
[4-[(4-fluorophenyl)sulfamoyl]phenyl]boronic acid
InChI:
InChI=1S/C12H11BFNO4S/c14-10-3-5-11(6-4-10)15-20(18,19)12-7-1-9(2-8-12)13(16)17/h1-8,15-17H
InChI Key:
MFWQIJUPTCPQPU-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.049g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
295.091g/mol
Monoisotopic Mass:
295.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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