Home Nitriles 4-Fluoro-3-nitrophenylacetonitrile

4-Fluoro-3-nitrophenylacetonitrile

CAS No.:
157662-77-6
Catalog Number:
AG001PLT
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$142
- +
Product Description
Catalog Number:
AG001PLT
Chemical Name:
4-Fluoro-3-nitrophenylacetonitrile
CAS Number:
157662-77-6
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
MDL Number:
MFCD09909410
IUPAC Name:
2-(4-fluoro-3-nitrophenyl)acetonitrile
InChI:
InChI=1S/C8H5FN2O2/c9-7-2-1-6(3-4-10)5-8(7)11(12)13/h1-2,5H,3H2
InChI Key:
FCOLUCPHJHRTLY-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)[N+](=O)[O-])F
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.034g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.138g/mol
Monoisotopic Mass:
180.034g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties