Home Nitriles 2-Nitro-5-(trifluoromethyl)benzonitrile

2-Nitro-5-(trifluoromethyl)benzonitrile

CAS No.:
16499-52-8
Catalog Number:
AG007B27
Molecular Formula:
C8H3F3N2O2
Molecular Weight:
216.1168
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$175
- +
5g
97%
In Stock USA
United States
$525
- +
10g
97%
In Stock USA
United States
$975
- +
25g
97%
In Stock USA
United States
$1600
- +
Product Description
Catalog Number:
AG007B27
Chemical Name:
2-Nitro-5-(trifluoromethyl)benzonitrile
CAS Number:
16499-52-8
Molecular Formula:
C8H3F3N2O2
Molecular Weight:
216.1168
MDL Number:
MFCD09264505
IUPAC Name:
2-nitro-5-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3F3N2O2/c9-8(10,11)6-1-2-7(13(14)15)5(3-6)4-12/h1-3H
InChI Key:
FHFVTHPGDCWXTD-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1[N+](=O)[O-])C(F)(F)F
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:
1.9  
Properties