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24824-27-9 | Naphthalene, 2,7-dinitro-
CAS No: 24824-27-9 Catalog No: AG002PKB MDL No:
Product Description
Catalog Number:
AG002PKB
Chemical Name:
Naphthalene, 2,7-dinitro-
CAS Number:
24824-27-9
Molecular Formula:
C10H6N2O4
Molecular Weight:
218.1656
IUPAC Name:
2,7-dinitronaphthalene
InChI:
InChI=1S/C10H6N2O4/c13-11(14)9-3-1-7-2-4-10(12(15)16)6-8(7)5-9/h1-6H
InChI Key:
AFDWAIQLYHEUIW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)cc(cc2)[N+](=O)[O-]
EC Number:
246-480-7
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.033g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.168g/mol
Monoisotopic Mass:
218.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Electron transfer within charge-localized dinitroaromatic radical anions. | The journal of physical chemistry. A 20090709 |
| Electron transfer within 2,7-dinitronaphthalene radical anion. | Journal of the American Chemical Society 20041201 |
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