Home Nitriles 4-(Trifluoromethoxy)phenylacetonitrile

4-(Trifluoromethoxy)phenylacetonitrile

CAS No.:
49561-96-8
Catalog Number:
AG003KBB
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$35
- +
25g
98%
In Stock USA
United States
$39
- +
100g
98%
In Stock USA
United States
$149
- +
500g
98%
In Stock USA
United States
$650
- +
Product Description
Catalog Number:
AG003KBB
Chemical Name:
4-(Trifluoromethoxy)phenylacetonitrile
CAS Number:
49561-96-8
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD00061240
IUPAC Name:
2-[4-(trifluoromethoxy)phenyl]acetonitrile
InChI:
InChI=1S/C9H6F3NO/c10-9(11,12)14-8-3-1-7(2-4-8)5-6-13/h1-4H,5H2
InChI Key:
LYFCAROXYJTUQF-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)OC(F)(F)F
Properties
Complexity:
222  
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:
3  
Properties