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Home > Boronic Acids > 548769-96-6
548769-96-6 | 4-(N-BENZYLSULPHONAMIDO)BENZENEBORONIC ACID
CAS No: 548769-96-6 Catalog No: AG00DABY MDL No:MFCD06659845
Product Description
Catalog Number:
AG00DABY
Chemical Name:
4-(N-BENZYLSULPHONAMIDO)BENZENEBORONIC ACID
CAS Number:
548769-96-6
Molecular Formula:
C13H14BNO4S
Molecular Weight:
291.1306
MDL Number:
MFCD06659845
IUPAC Name:
[4-(benzylsulfamoyl)phenyl]boronic acid
InChI:
InChI=1S/C13H14BNO4S/c16-14(17)12-6-8-13(9-7-12)20(18,19)15-10-11-4-2-1-3-5-11/h1-9,15-17H,10H2
InChI Key:
LRHAPENXSWTNOS-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)(=O)NCc1ccccc1)O
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
291.128g/mol
Monoisotopic Mass:
291.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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