Home Nitriles 2-Trifluoromethyl-5-nitrobenzonitrile

2-Trifluoromethyl-5-nitrobenzonitrile

CAS No.:
887350-95-0
Catalog Number:
AG00GUQ3
Molecular Formula:
C8H3F3N2O2
Molecular Weight:
216.1168
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$82
- +
5g
96%
In Stock USA
United States
$257
- +
10g
96%
In Stock USA
United States
$450
- +
25g
96%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG00GUQ3
Chemical Name:
2-Trifluoromethyl-5-nitrobenzonitrile
CAS Number:
887350-95-0
Molecular Formula:
C8H3F3N2O2
Molecular Weight:
216.1168
MDL Number:
MFCD08448277
IUPAC Name:
5-nitro-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3F3N2O2/c9-8(10,11)7-2-1-6(13(14)15)3-5(7)4-12/h1-3H
InChI Key:
KGIRDFJKJWPGLT-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1C(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