Home Nitriles 2,3,4,5,6-Pentafluorophenylacetonitrile

2,3,4,5,6-Pentafluorophenylacetonitrile

CAS No.:
653-30-5
Catalog Number:
AG003FD7
Molecular Formula:
C8H2F5N
Molecular Weight:
207.1002
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$38
- +
5g
95%
In Stock USA
United States
$88
- +
25g
95%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG003FD7
Chemical Name:
2,3,4,5,6-Pentafluorophenylacetonitrile
CAS Number:
653-30-5
Molecular Formula:
C8H2F5N
Molecular Weight:
207.1002
MDL Number:
MFCD00013814
IUPAC Name:
2-(2,3,4,5,6-pentafluorophenyl)acetonitrile
InChI:
InChI=1S/C8H2F5N/c9-4-3(1-2-14)5(10)7(12)8(13)6(4)11/h1H2
InChI Key:
YDNOJUAQBFXZCR-UHFFFAOYSA-N
SMILES:
N#CCc1c(F)c(F)c(c(c1F)F)F
EC Number:
211-498-6
NSC Number:
612875
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.011g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.103g/mol
Monoisotopic Mass:
207.011g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties