Home Nitriles 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile

3-Fluoro-5-(trifluoromethyl)phenylacetonitrile

CAS No.:
239087-12-8
Catalog Number:
AG00BCPQ
Molecular Formula:
C9H5F4N
Molecular Weight:
203.1363
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$27
- +
Product Description
Catalog Number:
AG00BCPQ
Chemical Name:
3-Fluoro-5-(trifluoromethyl)phenylacetonitrile
CAS Number:
239087-12-8
Molecular Formula:
C9H5F4N
Molecular Weight:
203.1363
MDL Number:
MFCD00061181
IUPAC Name:
2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile
InChI:
InChI=1S/C9H5F4N/c10-8-4-6(1-2-14)3-7(5-8)9(11,12)13/h3-5H,1H2
InChI Key:
HKCQBEWZJZKBQM-UHFFFAOYSA-N
SMILES:
N#CCc1cc(F)cc(c1)C(F)(F)F
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.036g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.14g/mol
Monoisotopic Mass:
203.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties