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35179-52-3

35179-52-3 structural image
Product Name: 1-ISOPROPYL-2-METHYL-4-NITRO-1H-IMIDAZOLE
Formula: C7H11N3O2
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >25.4 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 169.18 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 169.085126602 g/mol
Monoisotopic Mass 169.085126602 g/mol
Topological Polar Surface Area 63.6 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 178
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