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

3-Nitro-4-(trifluoromethoxy)benzonitrile

CAS No.:
1214360-38-9
Catalog Number:
AG0014VQ
Molecular Formula:
C8H3F3N2O3
Molecular Weight:
232.1162
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$188
- +
5g
95%
In Stock USA
United States
$700
- +
Product Description
Catalog Number:
AG0014VQ
Chemical Name:
3-Nitro-4-(trifluoromethoxy)benzonitrile
CAS Number:
1214360-38-9
Molecular Formula:
C8H3F3N2O3
Molecular Weight:
232.1162
MDL Number:
MFCD09745165
IUPAC Name:
3-nitro-4-(trifluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H3F3N2O3/c9-8(10,11)16-7-2-1-5(4-12)3-6(7)13(14)15/h1-3H
InChI Key:
WFAHTXKLIWKTAQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])OC(F)(F)F
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.01g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.118g/mol
Monoisotopic Mass:
232.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties