- InChI
- InChI=1S/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5)
- InChI Key
- VYDWQPKRHOGLPA-UHFFFAOYSA-N
- Formula
- C3H3N3O2
- SMILES
- O=[N+]([O-])c1cnc[nH]1
- Molecular Weight1
- 113.08
- Other Names
-
- 4(5)-nitroimidazole
- 4-nitro-1H-imidazole
- 5-nitro-1H-imidazole
- 5-nitroimidazole
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -1.11 | Crippen Calculated Property | |
| logPoct/wat | -0.164 | Crippen Calculated Property | |
| McVol | 71.050 | ml/mol | McGowan Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 122.90 | kJ/mol | 298.15 | Calorim... |
Similar Compounds
Find more compounds similar to 4-nitroimidazole.
Sources
- Crippen Method
- Crippen Method
- Calorimetric and computational studies for three nitroimidazole isomers
- McGowan Method
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