Home Nitriles 2-[4-Nitro-3-(trifluoromethyl)phenyl]acetonitrile

2-[4-Nitro-3-(trifluoromethyl)phenyl]acetonitrile

CAS No.:
176689-23-9
Catalog Number:
AG00AQK4
Molecular Formula:
C9H5F3N2O2
Molecular Weight:
230.1434
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$156
- +
250mg
95%
In Stock USA
United States
$313
- +
1g
95%
In Stock USA
United States
$812
- +
Product Description
Catalog Number:
AG00AQK4
Chemical Name:
2-[4-Nitro-3-(trifluoromethyl)phenyl]acetonitrile
CAS Number:
176689-23-9
Molecular Formula:
C9H5F3N2O2
Molecular Weight:
230.1434
MDL Number:
MFCD13185783
IUPAC Name:
2-[4-nitro-3-(trifluoromethyl)phenyl]acetonitrile
InChI:
InChI=1S/C9H5F3N2O2/c10-9(11,12)7-5-6(3-4-13)1-2-8(7)14(15)16/h1-2,5H,3H2
InChI Key:
BKJDGCNCFIRUNL-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.03g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.146g/mol
Monoisotopic Mass:
230.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties