Home Nitriles Benzeneacetonitrile, 4-fluoro-α-(2,2,2-trifluoroacetyl)-

Benzeneacetonitrile, 4-fluoro-α-(2,2,2-trifluoroacetyl)-

CAS No.:
3108-23-4
Catalog Number:
AG00321Z
Molecular Formula:
C10H5F4NO
Molecular Weight:
231.1464
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00321Z
Chemical Name:
Benzeneacetonitrile, 4-fluoro-α-(2,2,2-trifluoroacetyl)-
CAS Number:
3108-23-4
Molecular Formula:
C10H5F4NO
Molecular Weight:
231.1464
MDL Number:
MFCD31693525
IUPAC Name:
4,4,4-trifluoro-2-(4-fluorophenyl)-3-oxobutanenitrile
InChI:
InChI=1S/C10H5F4NO/c11-7-3-1-6(2-4-7)8(5-15)9(16)10(12,13)14/h1-4,8H
InChI Key:
RCAQVQYAKNWDSW-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)C(F)(F)F)c1ccc(cc1)F
Properties
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.031g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.15g/mol
Monoisotopic Mass:
231.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties