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15517-55-2 | Propanedinitrile, 2-(2,4,5,7-tetranitro-9H-fluoren-9-ylidene)-
CAS No: 15517-55-2 Catalog No: AG001NPC MDL No:
Product Description
Catalog Number:
AG001NPC
Chemical Name:
Propanedinitrile, 2-(2,4,5,7-tetranitro-9H-fluoren-9-ylidene)-
CAS Number:
15517-55-2
Molecular Formula:
C16H4N6O8
Molecular Weight:
408.2384
IUPAC Name:
2-(2,4,5,7-tetranitrofluoren-9-ylidene)propanedinitrile
InChI:
InChI=1S/C16H4N6O8/c17-5-7(6-18)14-10-1-8(19(23)24)3-12(21(27)28)15(10)16-11(14)2-9(20(25)26)4-13(16)22(29)30/h1-4H
InChI Key:
QLTDNDIVGHGWIX-UHFFFAOYSA-N
SMILES:
N#CC(=C1c2cc(cc(c2c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C#N
Properties
Complexity:
863
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.009g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.242g/mol
Monoisotopic Mass:
408.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
231A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Engineering a remarkably low HOMO-LUMO gap by covalent linkage of a strong pi-donor and a pi-acceptor--tetrathiafulvalene-sigma-polynitrofluorene diads: their amphoteric redox behavior, electron transfer and spectroscopic properties. | Chemistry (Weinheim an der Bergstrasse, Germany) 20021018 |
| Cocrystals of 2-(2,4,5,7-tetranitrofluoren-9-ylidene)propanedinitrile and 2,4,5,7-tetranitrofluoren-9-one with chlorobenzene. | Acta crystallographica. Section C, Crystal structure communications 20011101 |
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