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Home > Imidazoles > 828268-74-2
828268-74-2 | 1H-Imidazolium, 3-ethyl-1,2-dimethyl-4-nitro-, perchlorate
CAS No: 828268-74-2 Catalog No: AG008IAJ MDL No:
Product Description
Catalog Number:
AG008IAJ
Chemical Name:
1H-Imidazolium, 3-ethyl-1,2-dimethyl-4-nitro-, perchlorate
CAS Number:
828268-74-2
Molecular Formula:
C7H14ClN3O6
Molecular Weight:
271.6556
IUPAC Name:
3-ethyl-1,2-dimethyl-4-nitro-1,2-dihydroimidazol-1-ium;perchlorate
InChI:
InChI=1S/C7H13N3O2.ClHO4/c1-4-9-6(2)8(3)5-7(9)10(11)12;2-1(3,4)5/h5-6H,4H2,1-3H3;(H,2,3,4,5)
InChI Key:
ACQZWPKRYJFVJN-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.CCN1C(C)[NH+](C=C1[N+](=O)[O-])C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.654g/mol
Monoisotopic Mass:
271.057g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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