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Tetrafluoroterephthalonitrile

CAT: 0926-FT105324-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-FT105324-01Size:100 g
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CAS Number
1835-49-0
MDL Number
MFCD00001776
Smiles
C (#N) C1=C (C (=C (C (=C1F) F) C#N) F) F
Molecular Formula
C8F4N2
Molecular Weight
200.09 g/mol
Controlled
No

Chemical Information

Tetrafluoroterephthalonitrile

can cause contact dermatitis; structure given in first source

CAS Number1835-49-0
PubChem CID15783
IUPAC Name2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile
Molecular FormulaC8F4N2
Molecular Weight200.09
XLogP1.8
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity266
SMILES
C(#N)C1=C(C(=C(C(=C1F)F)C#N)F)F
InChI
InChI=1S/C8F4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11
InChIKey
PCRSJGWFEMHHEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tetrafluoroterephthalonitrile
CAS: 1835-49-0
CID: 15783
Formula: C8F4N2
MW: 200.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.09
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass199.99976066
Monoisotopic Mass199.99976066
Topological Polar Surface Area47.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity266
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

Alternative Products

CatalogName
sc-229414Tetrafluoroterephthalonitrile
PC6910-012,3,5,6-Tetrafluoroterephthalonitrile

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