Home Nitriles 2-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]acetonitrile

2-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]acetonitrile

CAS No.:
159981-22-3
Catalog Number:
AG01ACGX
Molecular Formula:
C9H7F3N2O
Molecular Weight:
216.1599
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Product Description
Catalog Number:
AG01ACGX
Chemical Name:
2-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]acetonitrile
CAS Number:
159981-22-3
Molecular Formula:
C9H7F3N2O
Molecular Weight:
216.1599
MDL Number:
MFCD27500690
IUPAC Name:
2-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]acetonitrile
InChI:
InChI=1S/C9H7F3N2O/c10-9(11,12)6-15-8-2-1-7(3-4-13)5-14-8/h1-2,5H,3,6H2
InChI Key:
ZRSZOBXUOPHVJM-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(nc1)OCC(F)(F)F
Properties
Complexity:
246  
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:
0
Isotope Atom Count:
0
Molecular Weight:
216.163g/mol
Monoisotopic Mass:
216.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties