Home Nitriles 2-Fluoro-5-(trifluoromethoxy)benzonitrile

2-Fluoro-5-(trifluoromethoxy)benzonitrile

CAS No.:
886498-08-4
Catalog Number:
AG003H9U
Molecular Formula:
C8H3F4NO
Molecular Weight:
205.1091
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$25
- +
5g
97%
In Stock USA
United States
$75
- +
25g
97%
In Stock USA
United States
$250
- +
100g
97%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG003H9U
Chemical Name:
2-Fluoro-5-(trifluoromethoxy)benzonitrile
CAS Number:
886498-08-4
Molecular Formula:
C8H3F4NO
Molecular Weight:
205.1091
MDL Number:
MFCD04115894
IUPAC Name:
2-fluoro-5-(trifluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H3F4NO/c9-7-2-1-6(3-5(7)4-13)14-8(10,11)12/h1-3H
InChI Key:
MFLGNKVMGUFLOV-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1F)OC(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