Home Nitriles Benzonitrile, 2-fluoro-6-(2,2,2-trifluoroethoxy)-

Benzonitrile, 2-fluoro-6-(2,2,2-trifluoroethoxy)-

CAS No.:
119584-74-6
Catalog Number:
AG000IZP
Molecular Formula:
C9H5F4NO
Molecular Weight:
219.1357
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Product Description
Catalog Number:
AG000IZP
Chemical Name:
Benzonitrile, 2-fluoro-6-(2,2,2-trifluoroethoxy)-
CAS Number:
119584-74-6
Molecular Formula:
C9H5F4NO
Molecular Weight:
219.1357
MDL Number:
MFCD00068210
IUPAC Name:
2-fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile
InChI:
InChI=1S/C9H5F4NO/c10-7-2-1-3-8(6(7)4-14)15-5-9(11,12)13/h1-3H,5H2
InChI Key:
KPUXDDKZMLVAEI-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1F)OCC(F)(F)F
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.031g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.139g/mol
Monoisotopic Mass:
219.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties