Home Halogens 3-Cyano-5-nitrobenzotrifluoride

3-Cyano-5-nitrobenzotrifluoride

CAS No.:
20566-80-7
Catalog Number:
AG002A9F
Molecular Formula:
C8H3F3N2O2
Molecular Weight:
216.1168
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$23
- +
5g
98%
In Stock USA
United States
$82
- +
10g
98%
In Stock USA
United States
$138
- +
25g
98%
In Stock USA
United States
$275
- +
100g
98%
In Stock USA
United States
$707
- +
Product Description
Catalog Number:
AG002A9F
Chemical Name:
3-Cyano-5-nitrobenzotrifluoride
CAS Number:
20566-80-7
Molecular Formula:
C8H3F3N2O2
Molecular Weight:
216.1168
MDL Number:
MFCD03412207
IUPAC Name:
3-nitro-5-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3F3N2O2/c9-8(10,11)6-1-5(4-12)2-7(3-6)13(14)15/h1-3H
InChI Key:
FSQINZQIPFZWKX-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cc(c1)C(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