CAS 1835-49-0 | 1,4-Benzenedicarbonitrile, 2,3,5,6-tetrafluoro- | CAS Number 1835-49-0

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1835-49-0 | 1,4-Benzenedicarbonitrile, 2,3,5,6-tetrafluoro-

CAS No: 1835-49-0 Catalog No: AG0027N5 MDL No:MFCD00001776

Product Description

Catalog Number:

AG0027N5

Chemical Name:

1,4-Benzenedicarbonitrile, 2,3,5,6-tetrafluoro-

CAS Number:

1835-49-0

Molecular Formula:

C8F4N2

Molecular Weight:

200.0926

MDL Number:

MFCD00001776

IUPAC Name:

2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile

InChI:

InChI=1S/C8F4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11

InChI Key:

PCRSJGWFEMHHEW-UHFFFAOYSA-N

SMILES:

N#Cc1c(F)c(F)c(c(c1F)F)C#N

EC Number:

217-397-3

NSC Number:

97007

Properties

Complexity:

266

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

200g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

200.096g/mol

Monoisotopic Mass:

200g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Copolymers of Intrinsic Microporosity Based on 2,2',3,3'-Tetrahydroxy-1,1'-dinaphthyl.	Macromolecular rapid communications 20090420
Simultaneous variation of multipole parameters and Gram-Charlier coefficients in a charge-density study of tetrafluoroterephthalonitrile based on X-ray and neutron data.	Acta crystallographica. Section A, Foundations of crystallography 20031101
Selective oxygenation of ring-substituted toluenes with electron-donating and -withdrawing substituents by molecular oxygen via photoinduced electron transfer.	Journal of the American Chemical Society 20031022