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163520-15-8 | Boronic acid, B-[5-butyl-2-[[(1,1-dimethylethyl)amino]sulfonyl]-3-thienyl]-
CAS No: 163520-15-8 Catalog No: AG001U77 MDL No:
Product Description
Catalog Number:
AG001U77
Chemical Name:
Boronic acid, B-[5-butyl-2-[[(1,1-dimethylethyl)amino]sulfonyl]-3-thienyl]-
CAS Number:
163520-15-8
Molecular Formula:
C12H22BNO4S2
Molecular Weight:
319.2484
IUPAC Name:
[5-butyl-2-(tert-butylsulfamoyl)thiophen-3-yl]boronic acid
InChI:
InChI=1S/C12H22BNO4S2/c1-5-6-7-9-8-10(13(15)16)11(19-9)20(17,18)14-12(2,3)4/h8,14-16H,5-7H2,1-4H3
InChI Key:
QRYOHDBVTYRLGU-UHFFFAOYSA-N
SMILES:
CCCCc1cc(c(s1)S(=O)(=O)NC(C)(C)C)B(O)O
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.108g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
319.241g/mol
Monoisotopic Mass:
319.108g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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