Home Nitriles 3-(Trifluoromethoxy)phenylacetonitrile

3-(Trifluoromethoxy)phenylacetonitrile

CAS No.:
108307-56-8
Catalog Number:
AG003BAI
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$68
- +
5g
95%
In Stock USA
United States
$200
- +
10g
95%
In Stock USA
United States
$313
- +
Product Description
Catalog Number:
AG003BAI
Chemical Name:
3-(Trifluoromethoxy)phenylacetonitrile
CAS Number:
108307-56-8
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD00061272
IUPAC Name:
2-[3-(trifluoromethoxy)phenyl]acetonitrile
InChI:
InChI=1S/C9H6F3NO/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2
InChI Key:
WZLPHJZVNJXHPV-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1)OC(F)(F)F
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.04g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.148g/mol
Monoisotopic Mass:
201.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties