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828268-72-0 | 1H-Imidazolium, 1,2,3-trimethyl-4-nitro-, nitrate
CAS No: 828268-72-0 Catalog No: AG0055TT MDL No:
Product Description
Catalog Number:
AG0055TT
Chemical Name:
1H-Imidazolium, 1,2,3-trimethyl-4-nitro-, nitrate
CAS Number:
828268-72-0
Molecular Formula:
C6H12N4O5
Molecular Weight:
220.1833
IUPAC Name:
1,2,3-trimethyl-4-nitro-1,2-dihydroimidazol-1-ium;nitrate
InChI:
InChI=1S/C6H11N3O2.NO3/c1-5-7(2)4-6(8(5)3)9(10)11;2-1(3)4/h4-5H,1-3H3;/q;-1/p+1
InChI Key:
VHNXJRQBNDDOSV-UHFFFAOYSA-O
SMILES:
C[NH+]1C=C(N(C1C)C)[N+](=O)[O-].[O-][N+](=O)[O-]
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.185g/mol
Monoisotopic Mass:
220.081g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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