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Home > Boronic Acids > 850568-76-2
850568-76-2 | (4-(N,N-Diethylsulfamoyl)phenyl)boronic acid
CAS No: 850568-76-2 Catalog No: AG008GT7 MDL No:MFCD06659846
Product Description
Catalog Number:
AG008GT7
Chemical Name:
(4-(N,N-Diethylsulfamoyl)phenyl)boronic acid
CAS Number:
850568-76-2
Molecular Formula:
C10H16BNO4S
Molecular Weight:
257.1143
MDL Number:
MFCD06659846
IUPAC Name:
[4-(diethylsulfamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H16BNO4S/c1-3-12(4-2)17(15,16)10-7-5-9(6-8-10)11(13)14/h5-8,13-14H,3-4H2,1-2H3
InChI Key:
HMGSSHUKMMHXLR-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1ccc(cc1)B(O)O)CC
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.111g/mol
Monoisotopic Mass:
257.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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