Home Nitriles 2-Nitro-4-(trifluoromethyl)benzonitrile

2-Nitro-4-(trifluoromethyl)benzonitrile

CAS No.:
778-94-9
Catalog Number:
AG003B9B
Molecular Formula:
C8H3F3N2O2
Molecular Weight:
216.1168
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(GC)
In Stock USA
United States
$39
- +
5g
98%(GC)
In Stock USA
United States
$55
- +
25g
98%(GC)
In Stock USA
United States
$96
- +
100g
98%(GC)
In Stock USA
United States
$303
- +
Product Description
Catalog Number:
AG003B9B
Chemical Name:
2-Nitro-4-(trifluoromethyl)benzonitrile
CAS Number:
778-94-9
Molecular Formula:
C8H3F3N2O2
Molecular Weight:
216.1168
MDL Number:
MFCD00014684
IUPAC Name:
2-nitro-4-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-1-5(4-12)7(3-6)13(14)15/h1-3H
InChI Key:
BQCWLXXZTCLGSZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1[N+](=O)[O-])C(F)(F)F
EC Number:
212-298-1
UNII:
E6Z0MKD079
NSC Number:
88323
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