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Home > Boronic Acids > 874219-47-3
874219-47-3 | (5-(N-(tert-Butyl)sulfamoyl)-2-methylphenyl)boronic acid
CAS No: 874219-47-3 Catalog No: AG008DKJ MDL No:MFCD08235063
Product Description
Catalog Number:
AG008DKJ
Chemical Name:
(5-(N-(tert-Butyl)sulfamoyl)-2-methylphenyl)boronic acid
CAS Number:
874219-47-3
Molecular Formula:
C11H18BNO4S
Molecular Weight:
271.1409
MDL Number:
MFCD08235063
IUPAC Name:
[5-(tert-butylsulfamoyl)-2-methylphenyl]boronic acid
InChI:
InChI=1S/C11H18BNO4S/c1-8-5-6-9(7-10(8)12(14)15)18(16,17)13-11(2,3)4/h5-7,13-15H,1-4H3
InChI Key:
PDKNOWSWRNUQHQ-UHFFFAOYSA-N
SMILES:
OB(c1cc(ccc1C)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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