Home Nitriles 2,4-Bis(trifluoromethyl)phenylacetonitrile

2,4-Bis(trifluoromethyl)phenylacetonitrile

CAS No.:
201789-28-8
Catalog Number:
AG00BEED
Molecular Formula:
C10H5F6N
Molecular Weight:
253.1438
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$50
- +
5g
97%
In Stock USA
United States
$200
- +
25g
97%
In Stock USA
United States
$800
- +
Product Description
Catalog Number:
AG00BEED
Chemical Name:
2,4-Bis(trifluoromethyl)phenylacetonitrile
CAS Number:
201789-28-8
Molecular Formula:
C10H5F6N
Molecular Weight:
253.1438
MDL Number:
MFCD00042490
IUPAC Name:
2-[2,4-bis(trifluoromethyl)phenyl]acetonitrile
InChI:
InChI=1S/C10H5F6N/c11-9(12,13)7-2-1-6(3-4-17)8(5-7)10(14,15)16/h1-2,5H,3H2
InChI Key:
BJEJFFSIEUOCNS-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.033g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.147g/mol
Monoisotopic Mass:
253.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties