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828268-68-4 | 1H-Imidazolium, 3-ethyl-1,2-dimethyl-4-nitro-, iodide
CAS No: 828268-68-4 Catalog No: AG004X08 MDL No:
Product Description
Catalog Number:
AG004X08
Chemical Name:
1H-Imidazolium, 3-ethyl-1,2-dimethyl-4-nitro-, iodide
CAS Number:
828268-68-4
Molecular Formula:
C7H14IN3O2
Molecular Weight:
299.1094
IUPAC Name:
3-ethyl-1,2-dimethyl-4-nitro-1,2-dihydroimidazol-1-ium;iodide
InChI:
InChI=1S/C7H13N3O2.HI/c1-4-9-6(2)8(3)5-7(9)10(11)12;/h5-6H,4H2,1-3H3;1H
InChI Key:
ATUIEPYPDGJXBW-UHFFFAOYSA-N
SMILES:
CCN1C(C)[NH+](C=C1[N+](=O)[O-])C.[I-]
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.013g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.112g/mol
Monoisotopic Mass:
299.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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