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Home > Imidazoles > 68019-78-3
68019-78-3 | 1H-Imidazole,4-methoxy-5-nitro-(9CI)
CAS No: 68019-78-3 Catalog No: AG00FRL5 MDL No:
Product Description
Catalog Number:
AG00FRL5
Chemical Name:
1H-Imidazole,4-methoxy-5-nitro-(9CI)
CAS Number:
68019-78-3
IUPAC Name:
4-methoxy-5-nitro-1H-imidazole
InChI:
InChI=1S/C4H5N3O3/c1-10-4-3(7(8)9)5-2-6-4/h2H,1H3,(H,5,6)
InChI Key:
MTLKLMBVLAVCAT-UHFFFAOYSA-N
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.033g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.102g/mol
Monoisotopic Mass:
143.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Two tautomers in one crystal: 4(5)-nitro-5(4)-methoxyimidazole. | Acta crystallographica. Section B, Structural science 20040401 |
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