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Home > Boronic Acids > 957121-17-4
957121-17-4 | (4-(N-Propionylsulfamoyl);phenyl);boronic acid
CAS No: 957121-17-4 Catalog No: AG005YD6 MDL No:MFCD09800864
Product Description
Catalog Number:
AG005YD6
Chemical Name:
(4-(N-Propionylsulfamoyl);phenyl);boronic acid
CAS Number:
957121-17-4
Molecular Formula:
C9H12BNO5S
Molecular Weight:
257.0713
MDL Number:
MFCD09800864
IUPAC Name:
[4-(propanoylsulfamoyl)phenyl]boronic acid
InChI:
InChI=1S/C9H12BNO5S/c1-2-9(12)11-17(15,16)8-5-3-7(4-6-8)10(13)14/h3-6,13-14H,2H2,1H3,(H,11,12)
InChI Key:
VWEYACLFMKWFQC-UHFFFAOYSA-N
SMILES:
CCC(=O)NS(=O)(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
257.067g/mol
Monoisotopic Mass:
257.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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