Home Nitriles 2-(2,3,5-trifluorophenyl)propanedinitrile

2-(2,3,5-trifluorophenyl)propanedinitrile

CAS No.:
1803585-26-3
Catalog Number:
AG01ALVB
Molecular Formula:
C9H3F3N2
Molecular Weight:
196.1287
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Product Description
Catalog Number:
AG01ALVB
Chemical Name:
2-(2,3,5-trifluorophenyl)propanedinitrile
CAS Number:
1803585-26-3
Molecular Formula:
C9H3F3N2
Molecular Weight:
196.1287
MDL Number:
MFCD28968267
IUPAC Name:
2-(2,3,5-trifluorophenyl)propanedinitrile
InChI:
InChI=1S/C9H3F3N2/c10-6-1-7(5(3-13)4-14)9(12)8(11)2-6/h1-2,5H
InChI Key:
VQLDASZDPSMLRZ-UHFFFAOYSA-N
SMILES:
N#CC(c1cc(F)cc(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