Home Nitriles 3,5-Bis(trifluoromethyl)phenylacetonitrile

3,5-Bis(trifluoromethyl)phenylacetonitrile

CAS No.:
85068-32-2
Catalog Number:
AG003IK8
Molecular Formula:
C10H5F6N
Molecular Weight:
253.1438
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$69
- +
25g
95%
In Stock USA
United States
$275
- +
Product Description
Catalog Number:
AG003IK8
Chemical Name:
3,5-Bis(trifluoromethyl)phenylacetonitrile
CAS Number:
85068-32-2
Molecular Formula:
C10H5F6N
Molecular Weight:
253.1438
MDL Number:
MFCD00009904
IUPAC Name:
2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile
InChI:
InChI=1S/C10H5F6N/c11-9(12,13)7-3-6(1-2-17)4-8(5-7)10(14,15)16/h3-5H,1H2
InChI Key:
YXGWYBUKRTYHJM-UHFFFAOYSA-N
SMILES:
N#CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
EC Number:
285-294-0
Properties
Complexity:
287  
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  
Literature
Title Journal
Quinoacridine derivatives with one-dimensional aggregation-induced red emission property. Langmuir : the ACS journal of surfaces and colloids 20120117
Properties