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

2-Nitro-4-(trifluoromethyl)phenylacetonitrile

CAS No.:
13544-06-4
Catalog Number:
AG003B9C
Molecular Formula:
C9H5F3N2O2
Molecular Weight:
230.1434
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$9
- +
1g
97%
1 week
United States
$12
- +
Product Description
Catalog Number:
AG003B9C
Chemical Name:
2-Nitro-4-(trifluoromethyl)phenylacetonitrile
CAS Number:
13544-06-4
Molecular Formula:
C9H5F3N2O2
Molecular Weight:
230.1434
MDL Number:
MFCD00045621
IUPAC Name:
2-[2-nitro-4-(trifluoromethyl)phenyl]acetonitrile
InChI:
InChI=1S/C9H5F3N2O2/c10-9(11,12)7-2-1-6(3-4-13)8(5-7)14(15)16/h1-2,5H,3H2
InChI Key:
CSRSFUABKGQLSY-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1[N+](=O)[O-])C(F)(F)F
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