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Home > Boronic Acids > 958651-73-5
958651-73-5 | [4-(tert-butylsulfamoyl)-2-methylphenyl]boronic acid
CAS No: 958651-73-5 Catalog No: AG00IJHO MDL No:MFCD18783141
Product Description
Catalog Number:
AG00IJHO
Chemical Name:
[4-(tert-butylsulfamoyl)-2-methylphenyl]boronic acid
CAS Number:
958651-73-5
Molecular Formula:
C11H18BNO4S
Molecular Weight:
271.1409
MDL Number:
MFCD18783141
IUPAC Name:
[4-(tert-butylsulfamoyl)-2-methylphenyl]boronic acid
InChI:
InChI=1S/C11H18BNO4S/c1-8-7-9(5-6-10(8)12(14)15)18(16,17)13-11(2,3)4/h5-7,13-15H,1-4H3
InChI Key:
IQWDTJUPZNXTFW-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1C)S(=O)(=O)NC(C)(C)C)O
Properties
Complexity:
372
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
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