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Home > Imidazoles > 925210-63-5
925210-63-5 | 1H-Imidazolium, 1-methyl-3-(1H-1,2,4-triazol-1-ylmethyl)-, nitrate (1:1)
CAS No: 925210-63-5 Catalog No: AG0064YV MDL No:
Product Description
Catalog Number:
AG0064YV
Chemical Name:
1H-Imidazolium, 1-methyl-3-(1H-1,2,4-triazol-1-ylmethyl)-, nitrate (1:1)
CAS Number:
925210-63-5
Molecular Formula:
C7H12N6O3
Molecular Weight:
228.2086
IUPAC Name:
1-[(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)methyl]-1,2,4-triazole;nitrate
InChI:
InChI=1S/C7H11N5.NO3/c1-10-2-3-11(6-10)7-12-5-8-4-9-12;2-1(3)4/h2-5H,6-7H2,1H3;/q;-1/p+1
InChI Key:
URQSQQZFUPITHS-UHFFFAOYSA-O
SMILES:
C[NH+]1C=CN(C1)Cn1ncnc1.[O-][N+](=O)[O-]
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.097g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.212g/mol
Monoisotopic Mass:
228.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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