Home Nitriles 2-(3,4,5-Trifluorophenyl)acetonitrile

2-(3,4,5-Trifluorophenyl)acetonitrile

CAS No.:
220228-03-5
Catalog Number:
AG003BAU
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$9
- +
1g
97%
1 week
United States
$19
- +
Product Description
Catalog Number:
AG003BAU
Chemical Name:
2-(3,4,5-Trifluorophenyl)acetonitrile
CAS Number:
220228-03-5
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
MDL Number:
MFCD00083531
IUPAC Name:
2-(3,4,5-trifluorophenyl)acetonitrile
InChI:
InChI=1S/C8H4F3N/c9-6-3-5(1-2-12)4-7(10)8(6)11/h3-4H,1H2
InChI Key:
TVSLNRQODQRVJZ-UHFFFAOYSA-N
SMILES:
N#CCc1cc(F)c(c(c1)F)F
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.122g/mol
Monoisotopic Mass:
171.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties