Home Boronic acids [4-[[[2-(Methoxy)ethyl]amino]sulfonyl]phenyl]boronic acid

[4-[[[2-(Methoxy)ethyl]amino]sulfonyl]phenyl]boronic acid

CAS No.:
1032825-28-7
Catalog Number:
AG01EHXH
Molecular Formula:
C9H14BNO5S
Molecular Weight:
259.0872
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Product Description
Catalog Number:
AG01EHXH
Chemical Name:
[4-[[[2-(Methoxy)ethyl]amino]sulfonyl]phenyl]boronic acid
CAS Number:
1032825-28-7
Molecular Formula:
C9H14BNO5S
Molecular Weight:
259.0872
MDL Number:
MFCD25954564
IUPAC Name:
[4-(2-methoxyethylsulfamoyl)phenyl]boronic acid
InChI:
InChI=1S/C9H14BNO5S/c1-16-7-6-11-17(14,15)9-4-2-8(3-5-9)10(12)13/h2-5,11-13H,6-7H2,1H3
InChI Key:
PNNBBUKGGKVDKY-UHFFFAOYSA-N
SMILES:
COCCNS(=O)(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.069g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
259.083g/mol
Monoisotopic Mass:
259.069g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties