Home Nitriles 2-(2,3,6-trifluorophenyl)propanedinitrile

2-(2,3,6-trifluorophenyl)propanedinitrile

CAS No.:
1803590-32-0
Catalog Number:
AG01BBB4
Molecular Formula:
C9H3F3N2
Molecular Weight:
196.1287
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BBB4
Chemical Name:
2-(2,3,6-trifluorophenyl)propanedinitrile
CAS Number:
1803590-32-0
Molecular Formula:
C9H3F3N2
Molecular Weight:
196.1287
MDL Number:
MFCD28505940
IUPAC Name:
2-(2,3,6-trifluorophenyl)propanedinitrile
InChI:
InChI=1S/C9H3F3N2/c10-6-1-2-7(11)9(12)8(6)5(3-13)4-14/h1-2,5H
InChI Key:
PBNMFLPOBUPOBF-UHFFFAOYSA-N
SMILES:
N#CC(c1c(F)ccc(c1F)F)C#N
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.025g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.132g/mol
Monoisotopic Mass:
196.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties