Home Nitriles 2-(2,3,6-Trifluorophenyl)acetonitrile

2-(2,3,6-Trifluorophenyl)acetonitrile

CAS No.:
114152-21-5
Catalog Number:
AG000AO9
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$213
- +
5g
1 week
United States
$637
- +
10g
1 week
United States
$1195
- +
25g
1 week
United States
$2328
- +
Product Description
Catalog Number:
AG000AO9
Chemical Name:
2-(2,3,6-Trifluorophenyl)acetonitrile
CAS Number:
114152-21-5
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
MDL Number:
MFCD00061219
IUPAC Name:
2-(2,3,6-trifluorophenyl)acetonitrile
InChI:
InChI=1S/C8H4F3N/c9-6-1-2-7(10)8(11)5(6)3-4-12/h1-2H,3H2
InChI Key:
PQIFHBOOYBTJLD-UHFFFAOYSA-N
SMILES:
N#CCc1c(F)ccc(c1F)F
Properties
Complexity:
198  
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