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5,6-bis(2-furyl)pyrazine-2,3-dicarbonitrile 52223-25-3 98%
Identification and Related Records
【Name】
5,6-di(furan-2-yl)pyrazine-2,3-dicarbonitrile
【Iupac name】
5,6-bis(furan-2-yl)pyrazine-2,3-dicarbonitrile
【CAS Registry number】
52223-25-3
【Synonyms】
52223-25-3
NSC175149
AC1L6WF2
NSC-175149
5,6-bis(furan-2-yl)pyrazine-2,3-dicarbonitrile
5,6-di(furan-2-yl)pyrazine-2,3-dicarbonitrile
【Molecular Formula】
C14H6N4O2 (Products with the same molecular formula)
【Molecular Weight】
262.223
【Inchi】
InChI=1/C14H6N4O2/c15-7-9-10(8-16)18-14(12-4-2-6-20-12)13(17-9)11-3-1-5-19-11/h1-6H
【Canonical SMILES】
C1=COC(=C1)C2=NC(=C(N=C2C3=CC=CO3)C#N)C#N
【MOL File】
52223-25-3.mol
Chemical and Physical Properties
【Density】
1.46g/cm3
【Boiling Point】
405.2°C at 760 mmHg
【Refractive Index】
1.654
【Flash Point】
198.8°C
【Computed Properties】
Molecular Weight:262.22304 [g/mol]
Molecular Formula:C14H6N4O2
XLogP3-AA:1.4
H-Bond Donor:0
H-Bond Acceptor:6
Rotatable Bond Count:2
Exact Mass:262.049075
MonoIsotopic Mass:262.049075
Topological Polar Surface Area:99.6
Heavy Atom Count:20
Formal Charge:0
Complexity:409
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:6
Feature 3D Ring Count:3
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:4
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