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Home > Nitro Compounds > 80253-79-8
80253-79-8 | Pyridinium, 1-(2,4-dinitrophenyl)-3,4-dimethyl-, chloride
CAS No: 80253-79-8 Catalog No: AG005N9I MDL No:
Product Description
Catalog Number:
AG005N9I
Chemical Name:
Pyridinium, 1-(2,4-dinitrophenyl)-3,4-dimethyl-, chloride
CAS Number:
80253-79-8
Molecular Formula:
C13H12ClN3O4
Molecular Weight:
309.7051
IUPAC Name:
1-(2,4-dinitrophenyl)-3,4-dimethylpyridin-1-ium;chloride
InChI:
InChI=1S/C13H12N3O4.ClH/c1-9-5-6-14(8-10(9)2)12-4-3-11(15(17)18)7-13(12)16(19)20;/h3-8H,1-2H3;1H/q+1;/p-1
InChI Key:
HAFQYZKUEYYXRP-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1cc(ccc1[n+]1ccc(c(c1)C)C)[N+](=O)[O-].[Cl-]
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.052g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.706g/mol
Monoisotopic Mass:
309.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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