Home Nitriles 3-(Trifluoromethoxy)benzonitrile

3-(Trifluoromethoxy)benzonitrile

CAS No.:
52771-22-9
Catalog Number:
AG00DEDA
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$24
- +
25g
98%
In Stock USA
United States
$75
- +
100g
98%
In Stock USA
United States
$232
- +
Product Description
Catalog Number:
AG00DEDA
Chemical Name:
3-(Trifluoromethoxy)benzonitrile
CAS Number:
52771-22-9
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
MDL Number:
MFCD00040959
IUPAC Name:
3-(trifluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H4F3NO/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-4H
InChI Key:
DCZAPXGEZYVQNX-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)OC(F)(F)F
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.024g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.121g/mol
Monoisotopic Mass:
187.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties