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Home > Imidazoles > 89717-58-8
89717-58-8 | 1H-Imidazolium, 4-methoxy-1,2,3-trimethyl-5-nitro-, perchlorate
CAS No: 89717-58-8 Catalog No: AG0042KU MDL No:
Product Description
Catalog Number:
AG0042KU
Chemical Name:
1H-Imidazolium, 4-methoxy-1,2,3-trimethyl-5-nitro-, perchlorate
CAS Number:
89717-58-8
Molecular Formula:
C7H14ClN3O7
Molecular Weight:
287.6550
IUPAC Name:
4-methoxy-1,2,3-trimethyl-5-nitro-1,2-dihydroimidazol-1-ium;perchlorate
InChI:
InChI=1S/C7H13N3O3.ClHO4/c1-5-8(2)6(10(11)12)7(13-4)9(5)3;2-1(3,4)5/h5H,1-4H3;(H,2,3,4,5)
InChI Key:
GCVQPGQOQSEOIT-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.COC1=C([N+](=O)[O-])[NH+](C(N1C)C)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.653g/mol
Monoisotopic Mass:
287.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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