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Home > Boronic Acids > 957120-99-9
957120-99-9 | (4-(N-(4-Fluoro-3-methoxyphenyl);sulfamoyl);phenyl);boronic acid
CAS No: 957120-99-9 Catalog No: AG003BU6 MDL No:MFCD09800884
Product Description
Catalog Number:
AG003BU6
Chemical Name:
(4-(N-(4-Fluoro-3-methoxyphenyl);sulfamoyl);phenyl);boronic acid
CAS Number:
957120-99-9
Molecular Formula:
C13H13BFNO5S
Molecular Weight:
325.1204
MDL Number:
MFCD09800884
IUPAC Name:
[4-[(4-fluoro-3-methoxyphenyl)sulfamoyl]phenyl]boronic acid
InChI:
InChI=1S/C13H13BFNO5S/c1-21-13-8-10(4-7-12(13)15)16-22(19,20)11-5-2-9(3-6-11)14(17)18/h2-8,16-18H,1H3
InChI Key:
XNUBPWLAGSNZKR-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1F)NS(=O)(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.059g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
325.117g/mol
Monoisotopic Mass:
325.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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