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Home > Imidazoles > 828268-69-5
828268-69-5 | 1H-Imidazolium, 1,3-dimethyl-4-nitro-, perchlorate
CAS No: 828268-69-5 Catalog No: AG008IAK MDL No:
Product Description
Catalog Number:
AG008IAK
Chemical Name:
1H-Imidazolium, 1,3-dimethyl-4-nitro-, perchlorate
CAS Number:
828268-69-5
Molecular Formula:
C5H10ClN3O6
Molecular Weight:
243.6024
IUPAC Name:
1,3-dimethyl-4-nitro-1,2-dihydroimidazol-1-ium;perchlorate
InChI:
InChI=1S/C5H9N3O2.ClHO4/c1-6-3-5(8(9)10)7(2)4-6;2-1(3,4)5/h3H,4H2,1-2H3;(H,2,3,4,5)
InChI Key:
LFHIUJNCSAYCKZ-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.CN1C[NH+](C=C1[N+](=O)[O-])C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.6g/mol
Monoisotopic Mass:
243.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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