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Home Boronic acids 4-(Piperidin-1-ylsulfonyl)-2-trifluoromethylphenylboronic acid

4-(Piperidin-1-ylsulfonyl)-2-trifluoromethylphenylboronic acid

CAS No.:
2096339-82-9
Catalog Number:
AG01EHFS
Molecular Formula:
C12H15BF3NO4S
Molecular Weight:
337.1230
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$438
- +
5g
96%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG01EHFS
Chemical Name:
4-(Piperidin-1-ylsulfonyl)-2-trifluoromethylphenylboronic acid
CAS Number:
2096339-82-9
Molecular Formula:
C12H15BF3NO4S
Molecular Weight:
337.1230
MDL Number:
MFCD18783153
IUPAC Name:
[4-piperidin-1-ylsulfonyl-2-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C12H15BF3NO4S/c14-12(15,16)10-8-9(4-5-11(10)13(18)19)22(20,21)17-6-2-1-3-7-17/h4-5,8,18-19H,1-3,6-7H2
InChI Key:
NZVMEYITTREHFC-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCCCC1)O
Properties
Complexity:
474  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.077g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
337.12g/mol
Monoisotopic Mass:
337.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties