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Home Boronic acids 4-(N-Cyclohexylsulfamoyl)-2-trifluoromethylphenylboronic acid

4-(N-Cyclohexylsulfamoyl)-2-trifluoromethylphenylboronic acid

CAS No.:
2096329-66-5
Catalog Number:
AG01EHIZ
Molecular Formula:
C13H17BF3NO4S
Molecular Weight:
351.1496
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$400
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Product Description
Catalog Number:
AG01EHIZ
Chemical Name:
4-(N-Cyclohexylsulfamoyl)-2-trifluoromethylphenylboronic acid
CAS Number:
2096329-66-5
Molecular Formula:
C13H17BF3NO4S
Molecular Weight:
351.1496
MDL Number:
MFCD18783149
IUPAC Name:
[4-(cyclohexylsulfamoyl)-2-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C13H17BF3NO4S/c15-13(16,17)11-8-10(6-7-12(11)14(19)20)23(21,22)18-9-4-2-1-3-5-9/h6-9,18-20H,1-5H2
InChI Key:
TXXCXSFAAAGBOL-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1C(F)(F)F)S(=O)(=O)NC1CCCCC1)O
Properties
Complexity:
488  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.092g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
351.147g/mol
Monoisotopic Mass:
351.092g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties