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Flecainide Impurity 6

CAT: 1596-AR-F10137-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F10137-01Size:10 Units
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CAS Number
1268628-19-8
Molecular Formula
C12H8F6O6
Molecular Weight
362.18
API Name
Flecainide

Chemical Information

2,5-Bis(2,2,2-trifluoroethoxy)terephthalic acid
CAS Number1268628-19-8
PubChem CID50992307
IUPAC Name2,5-bis(2,2,2-trifluoroethoxy)terephthalic acid
Molecular FormulaC12H8F6O6
Molecular Weight362.18
XLogP3.1
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity420
SMILES
C1=C(C(=CC(=C1OCC(F)(F)F)C(=O)O)OCC(F)(F)F)C(=O)O
InChI
InChI=1S/C12H8F6O6/c13-11(14,15)3-23-7-1-5(9(19)20)8(2-6(7)10(21)22)24-4-12(16,17)18/h1-2H,3-4H2,(H,19,20)(H,21,22)
InChIKey
JBDNTHMZRUYPBG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Bis(2,2,2-trifluoroethoxy)terephthalic acid
CAS: 1268628-19-8
CID: 50992307
Formula: C12H8F6O6
MW: 362.18
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.18
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass362.02250694
Monoisotopic Mass362.02250694
Topological Polar Surface Area93.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity420
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

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