Home Nitriles 3-(Trifluoromethyl)phenylacetonitrile

3-(Trifluoromethyl)phenylacetonitrile

CAS No.:
2338-76-3
Catalog Number:
AG002N1X
Molecular Formula:
C9H6F3N
Molecular Weight:
185.1458
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$8
- +
10g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$22
- +
500g
96%
In Stock USA
United States
$282
- +
Product Description
Catalog Number:
AG002N1X
Chemical Name:
3-(Trifluoromethyl)phenylacetonitrile
CAS Number:
2338-76-3
Molecular Formula:
C9H6F3N
Molecular Weight:
185.1458
MDL Number:
MFCD00001913
IUPAC Name:
2-[3-(trifluoromethyl)phenyl]acetonitrile
InChI:
InChI=1S/C9H6F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2
InChI Key:
JOIYKSLWXLFGGR-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1)C(F)(F)F
EC Number:
219-053-8
UNII:
Z3BI56GK28
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.045g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.149g/mol
Monoisotopic Mass:
185.045g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties