Home Nitriles 3-[3-(Trifluoromethyl)phenyl]propanenitrile

3-[3-(Trifluoromethyl)phenyl]propanenitrile

CAS No.:
95096-06-3
Catalog Number:
AG006PTF
Molecular Formula:
C10H8F3N
Molecular Weight:
199.1724
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$112
- +
1g
95%
In Stock USA
United States
$223
- +
5g
95%
In Stock USA
United States
$1100
- +
Product Description
Catalog Number:
AG006PTF
Chemical Name:
3-[3-(Trifluoromethyl)phenyl]propanenitrile
CAS Number:
95096-06-3
Molecular Formula:
C10H8F3N
Molecular Weight:
199.1724
MDL Number:
MFCD04973009
IUPAC Name:
3-[3-(trifluoromethyl)phenyl]propanenitrile
InChI:
InChI=1S/C10H8F3N/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7H,2,4H2
InChI Key:
WQFANOZTLIFBLX-UHFFFAOYSA-N
SMILES:
N#CCCc1cccc(c1)C(F)(F)F
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.061g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.176g/mol
Monoisotopic Mass:
199.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties