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Home > Boronic Acids > 957120-73-9
957120-73-9 | (4-(N-Isobutyrylsulfamoyl)phenyl)boronic acid
CAS No: 957120-73-9 Catalog No: AG005YD9 MDL No:MFCD09800863
Product Description
Catalog Number:
AG005YD9
Chemical Name:
(4-(N-Isobutyrylsulfamoyl)phenyl)boronic acid
CAS Number:
957120-73-9
Molecular Formula:
C10H14BNO5S
Molecular Weight:
271.0979
MDL Number:
MFCD09800863
IUPAC Name:
[4-(2-methylpropanoylsulfamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H14BNO5S/c1-7(2)10(13)12-18(16,17)9-5-3-8(4-6-9)11(14)15/h3-7,14-15H,1-2H3,(H,12,13)
InChI Key:
ULFYGOKHOJNHLQ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)(=O)NC(=O)C(C)C)O
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.094g/mol
Monoisotopic Mass:
271.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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