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Home > Imidazoles > 828268-70-8
828268-70-8 | 1H-Imidazolium, 1,3-dimethyl-4-nitro-, nitrate
CAS No: 828268-70-8 Catalog No: AG004X07 MDL No:
Product Description
Catalog Number:
AG004X07
Chemical Name:
1H-Imidazolium, 1,3-dimethyl-4-nitro-, nitrate
CAS Number:
828268-70-8
Molecular Formula:
C5H10N4O5
Molecular Weight:
206.1567
IUPAC Name:
1,3-dimethyl-4-nitro-1,2-dihydroimidazol-1-ium;nitrate
InChI:
InChI=1S/C5H9N3O2.NO3/c1-6-3-5(8(9)10)7(2)4-6;2-1(3)4/h3H,4H2,1-2H3;/q;-1/p+1
InChI Key:
HAWZPOLCZUDZFQ-UHFFFAOYSA-O
SMILES:
CN1C[NH+](C=C1[N+](=O)[O-])C.[O-][N+](=O)[O-]
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.158g/mol
Monoisotopic Mass:
206.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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