Home Boronic acids (4-(N-isopropylsulfamoyl)-3,5-dimethylphenyl)boronic acid

(4-(N-isopropylsulfamoyl)-3,5-dimethylphenyl)boronic acid

CAS No.:
1704121-72-1
Catalog Number:
AG00ARDO
Molecular Formula:
C11H18BNO4S
Molecular Weight:
271.1409
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Product Description
Catalog Number:
AG00ARDO
Chemical Name:
(4-(N-isopropylsulfamoyl)-3,5-dimethylphenyl)boronic acid
CAS Number:
1704121-72-1
Molecular Formula:
C11H18BNO4S
Molecular Weight:
271.1409
MDL Number:
MFCD28805609
IUPAC Name:
[3,5-dimethyl-4-(propan-2-ylsulfamoyl)phenyl]boronic acid
InChI:
InChI=1S/C11H18BNO4S/c1-7(2)13-18(16,17)11-8(3)5-10(12(14)15)6-9(11)4/h5-7,13-15H,1-4H3
InChI Key:
FMJRLYQOGPUFJU-UHFFFAOYSA-N
SMILES:
CC(NS(=O)(=O)c1c(C)cc(cc1C)B(O)O)C
Properties
Complexity:
354  
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:
3  
Isotope Atom Count:
0
Molecular Weight:
271.138g/mol
Monoisotopic Mass:
271.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties