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Home > Boronic Acids > 871329-80-5
871329-80-5 | (5-(N,N-Diethylsulfamoyl)-2-methylphenyl)boronic acid
CAS No: 871329-80-5 Catalog No: AG004TVI MDL No:MFCD08056356
Product Description
Catalog Number:
AG004TVI
Chemical Name:
(5-(N,N-Diethylsulfamoyl)-2-methylphenyl)boronic acid
CAS Number:
871329-80-5
Molecular Formula:
C11H18BNO4S
Molecular Weight:
271.1409
MDL Number:
MFCD08056356
IUPAC Name:
[5-(diethylsulfamoyl)-2-methylphenyl]boronic acid
InChI:
InChI=1S/C11H18BNO4S/c1-4-13(5-2)18(16,17)10-7-6-9(3)11(8-10)12(14)15/h6-8,14-15H,4-5H2,1-3H3
InChI Key:
ZMDFCDXLFOODQX-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1ccc(c(c1)B(O)O)C)CC
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.138g/mol
Monoisotopic Mass:
271.105g/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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