1H-Imidazole-1-ethanol, 2-methyl-5-nitro-


Chemical Name: 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-
CAS Number: 443-48-1
Product Number: AG0071YH(AGN-PC-03FO8Y)
Synonyms:
MDL No:
Molecular Formula: C6H9N3O3
Molecular Weight: 171.1540

Identification/Properties


Computed Properties
Molecular Weight:
171.156g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
171.064g/mol
Monoisotopic Mass:
171.064g/mol
Topological Polar Surface Area:
83.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
170
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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