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Home > Boronic Acids > 957120-81-9
957120-81-9 | 4-(N-(3-Methylbutanoyl)sulfamoyl)phenylboronic acid
CAS No: 957120-81-9 Catalog No: AG00IJE6 MDL No:MFCD09800865
Product Description
Catalog Number:
AG00IJE6
Chemical Name:
4-(N-(3-Methylbutanoyl)sulfamoyl)phenylboronic acid
CAS Number:
957120-81-9
Molecular Formula:
C11H16BNO5S
Molecular Weight:
285.1244
MDL Number:
MFCD09800865
IUPAC Name:
[4-(3-methylbutanoylsulfamoyl)phenyl]boronic acid
InChI:
InChI=1S/C11H16BNO5S/c1-8(2)7-11(14)13-19(17,18)10-5-3-9(4-6-10)12(15)16/h3-6,8,15-16H,7H2,1-2H3,(H,13,14)
InChI Key:
IVLBTLHEFYQBJN-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)(=O)NC(=O)CC(C)C)O
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
285.121g/mol
Monoisotopic Mass:
285.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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