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28631-68-7 | Benzenetetracarbonitrile
CAS No: 28631-68-7 Catalog No: AG002VW9 MDL No:
Product Description
Catalog Number:
AG002VW9
Chemical Name:
Benzenetetracarbonitrile
CAS Number:
28631-68-7
Molecular Formula:
C10H2N4
Molecular Weight:
178.1497
IUPAC Name:
benzene-1,2,3,4-tetracarbonitrile
InChI:
InChI=1S/C10H2N4/c11-3-7-1-2-8(4-12)10(6-14)9(7)5-13/h1-2H
InChI Key:
ZXEVECAZLJIXPS-UHFFFAOYSA-N
SMILES:
N#Cc1c(ccc(c1C#N)C#N)C#N
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.154g/mol
Monoisotopic Mass:
178.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Time-resolved studies of charge recombination in the pyrene/TCNQ charge-transfer crystal: evidence for tunneling. | The journal of physical chemistry. A 20120531 |
| The effects of photochemical and mechanical damage on the excited state dynamics of charge-transfer molecular crystals composed of tetracyanobenzene and aromatic donor molecules. | The journal of physical chemistry. A 20110310 |
| Photoinduced three-component reactions of tetracyanobenzene with alkenes in the presence of 1,3-dicarbonyl compounds as nucleophiles. | The Journal of organic chemistry 20081017 |
| Room-temperature organic-based magnet (Tc approximately 50 degrees C) containing tetracyanobenzene and hexacarbonylvanadate(-I). | Angewandte Chemie (International ed. in English) 20060811 |
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