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1217501-22-8 | Boronic acid, B-[3-[[(1,1-dimethylethyl)methylamino]sulfonyl]phenyl]-
CAS No: 1217501-22-8 Catalog No: AG0015SI MDL No:MFCD12756419
Product Description
Catalog Number:
AG0015SI
Chemical Name:
Boronic acid, B-[3-[[(1,1-dimethylethyl)methylamino]sulfonyl]phenyl]-
CAS Number:
1217501-22-8
Molecular Formula:
C11H18BNO4S
Molecular Weight:
271.1409
MDL Number:
MFCD12756419
IUPAC Name:
[3-[tert-butyl(methyl)sulfamoyl]phenyl]boronic acid
InChI:
InChI=1S/C11H18BNO4S/c1-11(2,3)13(4)18(16,17)10-7-5-6-9(8-10)12(14)15/h5-8,14-15H,1-4H3
InChI Key:
UNQUFVKIIUCSCR-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)S(=O)(=O)N(C(C)(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:
2
Isotope Atom Count:
0
Molecular Weight:
271.138g/mol
Monoisotopic Mass:
271.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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