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Home > Boronic Acids > 957060-91-2
957060-91-2 | (4-(N-(4-Methoxybenzyl)sulfamoyl)phenyl)boronic acid
CAS No: 957060-91-2 Catalog No: AG003BU7 MDL No:MFCD09027228
Product Description
Catalog Number:
AG003BU7
Chemical Name:
(4-(N-(4-Methoxybenzyl)sulfamoyl)phenyl)boronic acid
CAS Number:
957060-91-2
Molecular Formula:
C14H16BNO5S
Molecular Weight:
321.1565
MDL Number:
MFCD09027228
IUPAC Name:
[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]boronic acid
InChI:
InChI=1S/C14H16BNO5S/c1-21-13-6-2-11(3-7-13)10-16-22(19,20)14-8-4-12(5-9-14)15(17)18/h2-9,16-18H,10H2,1H3
InChI Key:
AWIGPKIEHWXBDW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNS(=O)(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
321.154g/mol
Monoisotopic Mass:
321.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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