Home Sulfos Alpha-(p-toluenesulfonyl)-4-fluorobenzylisonitrile

Alpha-(p-toluenesulfonyl)-4-fluorobenzylisonitrile

CAS No.:
165806-95-1
Catalog Number:
AG001WD4
Molecular Formula:
C15H12FNO2S
Molecular Weight:
289.3247
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$63
- +
5g
98%
In Stock USA
United States
$213
- +
10g
98%
In Stock USA
United States
$413
- +
25g
98%
In Stock USA
United States
$975
- +
Product Description
Catalog Number:
AG001WD4
Chemical Name:
Alpha-(p-toluenesulfonyl)-4-fluorobenzylisonitrile
CAS Number:
165806-95-1
Molecular Formula:
C15H12FNO2S
Molecular Weight:
289.3247
MDL Number:
MFCD03787932
IUPAC Name:
1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene
InChI:
InChI=1S/C15H12FNO2S/c1-11-3-9-14(10-4-11)20(18,19)15(17-2)12-5-7-13(16)8-6-12/h3-10,15H,1H3
InChI Key:
UXCQPEDHCCJBNL-UHFFFAOYSA-N
SMILES:
[C-]#[N+]C(S(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)F
Properties
Complexity:
460  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.057g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.324g/mol
Monoisotopic Mass:
289.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties