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Home > Nitro Compounds > 5465-13-4
5465-13-4 | DINITRODURENE
CAS No: 5465-13-4 Catalog No: AG003PO9 MDL No:MFCD00007164
Product Description
Catalog Number:
AG003PO9
Chemical Name:
DINITRODURENE
CAS Number:
5465-13-4
MDL Number:
MFCD00007164
IUPAC Name:
1,2,4,5-tetramethyl-3,6-dinitrobenzene
InChI:
InChI=1S/C10H12N2O4/c1-5-6(2)10(12(15)16)8(4)7(3)9(5)11(13)14/h1-4H3
InChI Key:
AEPQXGFMAZTUEA-UHFFFAOYSA-N
EC Number:
226-766-8
NSC Number:
28984
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.216g/mol
Monoisotopic Mass:
224.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Effect of ortho substitution on the charge localization of dinitrobenzene radical anions. | The journal of physical chemistry. A 20110414 |
| Dimorphic forms of 3,6-dinitrodurene in a single space group. | Acta crystallographica. Section C, Crystal structure communications 20090401 |
| Study of the effects of ion pairing and activity coefficients on the separation in standard potentials for two-step reduction of dinitroaromatics. | The journal of physical chemistry. B 20050804 |
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