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Home > Imidazoles > 828268-71-9
828268-71-9 | 1H-Imidazolium, 1,2,3-trimethyl-4-nitro-, perchlorate
CAS No: 828268-71-9 Catalog No: AG0055TU MDL No:
Product Description
Catalog Number:
AG0055TU
Chemical Name:
1H-Imidazolium, 1,2,3-trimethyl-4-nitro-, perchlorate
CAS Number:
828268-71-9
Molecular Formula:
C6H12ClN3O6
Molecular Weight:
257.6290
IUPAC Name:
1,2,3-trimethyl-4-nitro-1,2-dihydroimidazol-1-ium;perchlorate
InChI:
InChI=1S/C6H11N3O2.ClHO4/c1-5-7(2)4-6(8(5)3)9(10)11;2-1(3,4)5/h4-5H,1-3H3;(H,2,3,4,5)
InChI Key:
XADZYVJOWJMUGD-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.C[NH+]1C=C(N(C1C)C)[N+](=O)[O-]
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.627g/mol
Monoisotopic Mass:
257.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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