Home Nitriles 2-(2-(Trifluoromethyl)phenyl)acetonitrile

2-(2-(Trifluoromethyl)phenyl)acetonitrile

CAS No.:
3038-47-9
Catalog Number:
AG002ZXI
Molecular Formula:
C9H6F3N
Molecular Weight:
185.1458
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$73
- +
100g
98%
In Stock USA
United States
$223
- +
500g
98%
In Stock USA
United States
$1000
- +
Product Description
Catalog Number:
AG002ZXI
Chemical Name:
2-(2-(Trifluoromethyl)phenyl)acetonitrile
CAS Number:
3038-47-9
Molecular Formula:
C9H6F3N
Molecular Weight:
185.1458
MDL Number:
MFCD00001903
IUPAC Name:
2-[2-(trifluoromethyl)phenyl]acetonitrile
InChI:
InChI=1S/C9H6F3N/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4H,5H2
InChI Key:
QXDCZSJGEUSERL-UHFFFAOYSA-N
SMILES:
N#CCc1ccccc1C(F)(F)F
EC Number:
221-239-9
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:
2.5  
Properties