Home Nitriles 4-(Trifluoromethoxy)benzonitrile

4-(Trifluoromethoxy)benzonitrile

CAS No.:
332-25-2
Catalog Number:
AG003KB0
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$32
- +
100g
98%
In Stock USA
United States
$100
- +
500g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG003KB0
Chemical Name:
4-(Trifluoromethoxy)benzonitrile
CAS Number:
332-25-2
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
MDL Number:
MFCD00039474
IUPAC Name:
4-(trifluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H4F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H
InChI Key:
XWHIXOMWXCHJPP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)OC(F)(F)F
EC Number:
206-363-3
Properties
Complexity:
209  
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:
2.8  
Properties