1H-Imidazole-1-ethanol, 2-(hydroxymethyl)-5-nitro-


Chemical Name: 1H-Imidazole-1-ethanol, 2-(hydroxymethyl)-5-nitro-
CAS Number: 4812-40-2
Product Number: AG00D932(AGN-PC-09SGYW)
Synonyms:
MDL No:
Molecular Formula: C6H9N3O4
Molecular Weight: 187.15336

Identification/Properties


Computed Properties
Molecular Weight:
187.155g/mol
XLogP3:
-1.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
187.059g/mol
Monoisotopic Mass:
187.059g/mol
Topological Polar Surface Area:
104A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
183
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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