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Home > Boronic Acids > 871329-58-7
871329-58-7 | (3-(N,N-Diethylsulfamoyl)phenyl)boronic acid
CAS No: 871329-58-7 Catalog No: AG008FBM MDL No:MFCD07363746
Product Description
Catalog Number:
AG008FBM
Chemical Name:
(3-(N,N-Diethylsulfamoyl)phenyl)boronic acid
CAS Number:
871329-58-7
Molecular Formula:
C10H16BNO4S
Molecular Weight:
257.1143
MDL Number:
MFCD07363746
IUPAC Name:
[3-(diethylsulfamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H16BNO4S/c1-3-12(4-2)17(15,16)10-7-5-6-9(8-10)11(13)14/h5-8,13-14H,3-4H2,1-2H3
InChI Key:
PSMCZVAPCNNYTE-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1cccc(c1)B(O)O)CC
Properties
Complexity:
324
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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