Home Boronic acids 4-Pyrrolidinosulfonyl-2-trifluoromethylphenylboronic acid

4-Pyrrolidinosulfonyl-2-trifluoromethylphenylboronic acid

CAS No.:
2096338-19-9
Catalog Number:
AG01EH9D
Molecular Formula:
C11H13BF3NO4S
Molecular Weight:
323.0964
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$188
- +
1g
96%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG01EH9D
Chemical Name:
4-Pyrrolidinosulfonyl-2-trifluoromethylphenylboronic acid
CAS Number:
2096338-19-9
Molecular Formula:
C11H13BF3NO4S
Molecular Weight:
323.0964
MDL Number:
MFCD19981518
IUPAC Name:
[4-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C11H13BF3NO4S/c13-11(14,15)9-7-8(3-4-10(9)12(17)18)21(19,20)16-5-1-2-6-16/h3-4,7,17-18H,1-2,5-6H2
InChI Key:
FWHPNPSSQRPDDH-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCCC1)O
Properties
Complexity:
459  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.061g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
323.093g/mol
Monoisotopic Mass:
323.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties