Home Nitriles 5-amino-2-(2,2,2-trifluoroethoxy)benzonitrile

5-amino-2-(2,2,2-trifluoroethoxy)benzonitrile

CAS No.:
288252-08-4
Catalog Number:
AG019U9H
Molecular Formula:
C9H7F3N2O
Molecular Weight:
216.1599
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Product Description
Catalog Number:
AG019U9H
Chemical Name:
5-amino-2-(2,2,2-trifluoroethoxy)benzonitrile
CAS Number:
288252-08-4
Molecular Formula:
C9H7F3N2O
Molecular Weight:
216.1599
IUPAC Name:
5-amino-2-(2,2,2-trifluoroethoxy)benzonitrile
InChI:
InChI=1S/C9H7F3N2O/c10-9(11,12)5-15-8-2-1-7(14)3-6(8)4-13/h1-3H,5,14H2
InChI Key:
VGDCFDPLGVICBG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)ccc1OCC(F)(F)F
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.051g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.163g/mol
Monoisotopic Mass:
216.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties