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Home > Boronic Acids > 957062-69-0
957062-69-0 | (4-(N-(3-Chlorophenyl);sulfamoyl);phenyl);boronic acid
CAS No: 957062-69-0 Catalog No: AG005YVM MDL No:MFCD09878339
Product Description
Catalog Number:
AG005YVM
Chemical Name:
(4-(N-(3-Chlorophenyl);sulfamoyl);phenyl);boronic acid
CAS Number:
957062-69-0
Molecular Formula:
C12H11BClNO4S
Molecular Weight:
311.5490
MDL Number:
MFCD09878339
IUPAC Name:
[4-[(3-chlorophenyl)sulfamoyl]phenyl]boronic acid
InChI:
InChI=1S/C12H11BClNO4S/c14-10-2-1-3-11(8-10)15-20(18,19)12-6-4-9(5-7-12)13(16)17/h1-8,15-17H
InChI Key:
RFMJCHDJLPORGS-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)NS(=O)(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.019g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
311.543g/mol
Monoisotopic Mass:
311.019g/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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