Home Nitriles 2-Fluoro-6-(trifluoromethyl)phenylacetonitrile

2-Fluoro-6-(trifluoromethyl)phenylacetonitrile

CAS No.:
179946-34-0
Catalog Number:
AG0021J5
Molecular Formula:
C9H5F4N
Molecular Weight:
203.1363
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$148
- +
5g
1 week
United States
$384
- +
10g
1 week
United States
$694
- +
Product Description
Catalog Number:
AG0021J5
Chemical Name:
2-Fluoro-6-(trifluoromethyl)phenylacetonitrile
CAS Number:
179946-34-0
Molecular Formula:
C9H5F4N
Molecular Weight:
203.1363
MDL Number:
MFCD00061184
IUPAC Name:
2-[2-fluoro-6-(trifluoromethyl)phenyl]acetonitrile
InChI:
InChI=1S/C9H5F4N/c10-8-3-1-2-7(9(11,12)13)6(8)4-5-14/h1-3H,4H2
InChI Key:
SFLYZUWDTDYATN-UHFFFAOYSA-N
SMILES:
N#CCc1c(F)cccc1C(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