Home Nitriles 2,4,6-Trifluorobenzonitrile

2,4,6-Trifluorobenzonitrile

CAS No.:
96606-37-0
Catalog Number:
AG003FN0
Molecular Formula:
C7H2F3N
Molecular Weight:
157.0927
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$63
- +
100g
98%
In Stock USA
United States
$200
- +
Product Description
Catalog Number:
AG003FN0
Chemical Name:
2,4,6-Trifluorobenzonitrile
CAS Number:
96606-37-0
Molecular Formula:
C7H2F3N
Molecular Weight:
157.0927
MDL Number:
MFCD00042399
IUPAC Name:
2,4,6-trifluorobenzonitrile
InChI:
InChI=1S/C7H2F3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H
InChI Key:
HTKFGTCCOJIUIK-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)cc(cc1F)F
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.014g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.095g/mol
Monoisotopic Mass:
157.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
2,4,6-trifluorobenzonitrile. Acta crystallographica. Section C, Crystal structure communications 20081101
Properties