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1,2-Bis (4-fluorophenyl) ethane

CAT: 0024-sc-258901BSize: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-258901BSize:25 g
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CAS Number
458-76-4

Chemical Information

1,2-Bis(4-fluorophenyl)ethane

See also: 1,1'-(1,2-ethanediyl)bis[4-fluoro-Benzene (annotation moved to).

CAS Number458-76-4
PubChem CID573306
IUPAC Name1-fluoro-4-[2-(4-fluorophenyl)ethyl]benzene
Molecular FormulaC14H12F2
Molecular Weight218.24
XLogP4.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity167
SMILES
C1=CC(=CC=C1CCC2=CC=C(C=C2)F)F
InChI
InChI=1S/C14H12F2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,1-2H2
InChIKey
PYRSXVQXDHTFMW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Bis(4-fluorophenyl)ethane
CAS: 458-76-4
CID: 573306
Formula: C14H12F2
MW: 218.24
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight218.24
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass218.09070671
Monoisotopic Mass218.09070671
Topological Polar Surface Area0 Ų
Heavy Atom Count16
Formal Charge0
Complexity167
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