Home Nitriles 4-(2,2,2-Trifluoroethoxy)benzonitrile

4-(2,2,2-Trifluoroethoxy)benzonitrile

CAS No.:
56935-76-3
Catalog Number:
AG00IA5Q
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$63
- +
5g
98%
In Stock USA
United States
$225
- +
10g
98%
In Stock USA
United States
$400
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00IA5Q
Chemical Name:
4-(2,2,2-Trifluoroethoxy)benzonitrile
CAS Number:
56935-76-3
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD00511903
IUPAC Name:
4-(2,2,2-trifluoroethoxy)benzonitrile
InChI:
InChI=1S/C9H6F3NO/c10-9(11,12)6-14-8-3-1-7(5-13)2-4-8/h1-4H,6H2
InChI Key:
ASHNFUJQYKNUCF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)OCC(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:
2.7  
Properties