Home Nitriles 2-Nitro-6-(trifluoromethyl)benzonitrile

2-Nitro-6-(trifluoromethyl)benzonitrile

CAS No.:
1227581-80-7
Catalog Number:
AG000JCV
Molecular Formula:
C8H3F3N2O2
Molecular Weight:
216.1168
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$795
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Product Description
Catalog Number:
AG000JCV
Chemical Name:
2-Nitro-6-(trifluoromethyl)benzonitrile
CAS Number:
1227581-80-7
Molecular Formula:
C8H3F3N2O2
Molecular Weight:
216.1168
MDL Number:
MFCD16606330
IUPAC Name:
2-nitro-6-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-1-3-7(13(14)15)5(6)4-12/h1-3H
InChI Key:
YRZJMLWYQLTJHS-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.015g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.119g/mol
Monoisotopic Mass:
216.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties