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Home > Nitro Compounds > 1603-85-6
1603-85-6 | Pyridine, 4-[(2,4-dinitrophenyl)methyl]-
CAS No: 1603-85-6 Catalog No: AG001RU8 MDL No:MFCD01321164
Product Description
Catalog Number:
AG001RU8
Chemical Name:
Pyridine, 4-[(2,4-dinitrophenyl)methyl]-
CAS Number:
1603-85-6
Molecular Formula:
C12H9N3O4
Molecular Weight:
259.2176
MDL Number:
MFCD01321164
IUPAC Name:
4-[(2,4-dinitrophenyl)methyl]pyridine
InChI:
InChI=1S/C12H9N3O4/c16-14(17)11-2-1-10(12(8-11)15(18)19)7-9-3-5-13-6-4-9/h1-6,8H,7H2
InChI Key:
ZMNNEUAACIBIEC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Cc1ccncc1)[N+](=O)[O-]
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.221g/mol
Monoisotopic Mass:
259.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| 4-(4-Nitro-benz-yl)pyridinium 5-nitro-salicylate. | Acta crystallographica. Section E, Structure reports online 20100501 |
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