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Flecainide Impurity 17

CAT: 1596-AR-F10148-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F10148-01Size:10 Units
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CAS Number
66300-61-6
Molecular Formula
C10H8F6O2
Molecular Weight
274.16
API Name
Flecainide

Chemical Information

1,4-Bis(2,2,2-trifluoroethoxy)benzene
CAS Number66300-61-6
PubChem CID737156
IUPAC Name1,4-bis(2,2,2-trifluoroethoxy)benzene
Molecular FormulaC10H8F6O2
Molecular Weight274.16
XLogP4.1
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity216
SMILES
C1=CC(=CC=C1OCC(F)(F)F)OCC(F)(F)F
InChI
InChI=1S/C10H8F6O2/c11-9(12,13)5-17-7-1-2-8(4-3-7)18-6-10(14,15)16/h1-4H,5-6H2
InChIKey
ZHUBFESHPMGIDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Bis(2,2,2-trifluoroethoxy)benzene
CAS: 66300-61-6
CID: 737156
Formula: C10H8F6O2
MW: 274.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight274.16
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass274.04284847
Monoisotopic Mass274.04284847
Topological Polar Surface Area18.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity216
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes