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Home > Imidazoles > 828268-75-3
828268-75-3 | 1H-Imidazolium, 3-ethyl-1,2-dimethyl-4-nitro-, nitrate
CAS No: 828268-75-3 Catalog No: AG008IAI MDL No:
Product Description
Catalog Number:
AG008IAI
Chemical Name:
1H-Imidazolium, 3-ethyl-1,2-dimethyl-4-nitro-, nitrate
CAS Number:
828268-75-3
Molecular Formula:
C7H14N4O5
Molecular Weight:
234.2099
IUPAC Name:
3-ethyl-1,2-dimethyl-4-nitro-1,2-dihydroimidazol-1-ium;nitrate
InChI:
InChI=1S/C7H13N3O2.NO3/c1-4-9-6(2)8(3)5-7(9)10(11)12;2-1(3)4/h5-6H,4H2,1-3H3;/q;-1/p+1
InChI Key:
PAJBJEGLRJJXDO-UHFFFAOYSA-O
SMILES:
[O-][N+](=O)[O-].CCN1C(C)[NH+](C=C1[N+](=O)[O-])C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.212g/mol
Monoisotopic Mass:
234.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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