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183000-60-4 | Boronic acid, [2-[[(1,1-dimethylethyl)amino]sulfonyl]-5-methylphenyl]- (9CI)
CAS No: 183000-60-4 Catalog No: AG0024BX MDL No:MFCD19237161
Product Description
Catalog Number:
AG0024BX
Chemical Name:
Boronic acid, [2-[[(1,1-dimethylethyl)amino]sulfonyl]-5-methylphenyl]- (9CI)
CAS Number:
183000-60-4
Molecular Formula:
C11H18BNO4S
Molecular Weight:
271.1409
MDL Number:
MFCD19237161
IUPAC Name:
[2-(tert-butylsulfamoyl)-5-methylphenyl]boronic acid
InChI:
InChI=1S/C11H18BNO4S/c1-8-5-6-10(9(7-8)12(14)15)18(16,17)13-11(2,3)4/h5-7,13-15H,1-4H3
InChI Key:
AWBYIPZEQVPQBT-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)B(O)O)S(=O)(=O)NC(C)(C)C
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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