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Home > Fluorides > 159981-18-7
159981-18-7 | 3-Pyridinecarbonitrile, 6-(2,2,2-trifluoroethoxy)-
CAS No: 159981-18-7 Catalog No: AG001RK6 MDL No:MFCD00100036
Product Description
Catalog Number:
AG001RK6
Chemical Name:
3-Pyridinecarbonitrile, 6-(2,2,2-trifluoroethoxy)-
CAS Number:
159981-18-7
Molecular Formula:
C8H5F3N2O
Molecular Weight:
202.1333
MDL Number:
MFCD00100036
IUPAC Name:
6-(2,2,2-trifluoroethoxy)pyridine-3-carbonitrile
InChI:
InChI=1S/C8H5F3N2O/c9-8(10,11)5-14-7-2-1-6(3-12)4-13-7/h1-2,4H,5H2
InChI Key:
JCCWYJAWPPUERF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)OCC(F)(F)F
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.136g/mol
Monoisotopic Mass:
202.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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