Home Nitriles 4-Fluoro-3-(trifluoromethoxy)benzonitrile

4-Fluoro-3-(trifluoromethoxy)benzonitrile

CAS No.:
886501-14-0
Catalog Number:
AG0048Y0
Molecular Formula:
C8H3F4NO
Molecular Weight:
205.1091
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$150
- +
10g
98%
In Stock USA
United States
$263
- +
25g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG0048Y0
Chemical Name:
4-Fluoro-3-(trifluoromethoxy)benzonitrile
CAS Number:
886501-14-0
Molecular Formula:
C8H3F4NO
Molecular Weight:
205.1091
MDL Number:
MFCD06660253
IUPAC Name:
4-fluoro-3-(trifluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H3F4NO/c9-6-2-1-5(4-13)3-7(6)14-8(10,11)12/h1-3H
InChI Key:
QTSJFYSQJUUNAY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)OC(F)(F)F)F
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.015g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.112g/mol
Monoisotopic Mass:
205.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties