(2-nitro-1H-imidazol-5-yl)methanol
Basic information
- CAS
89176-71-6- Standard SMILES
O=[N+]([O-])c1ncc(CO)[nH]1- InChIKey
GLJCQPWJBWFPME-UHFFFAOYSA-N- Molecular formula
- C4H5N3O3
- Average molar mass
- 143.1 g/mol
- Monoisotopic mass
- 143.03309103
Names & identifiers
- Preferred name
- (2-nitro-1H-imidazol-5-yl)methanol
- IUPAC
- (2-nitro-1H-imidazol-5-yl)methanol
- English name
- 1H-Imidazole-4-carboxaldehyde, 2-nitro
- Molecular formula
- C4H3N3O3
- Molecular weight
- 141.08
Names & synonyms
(2-nitro-1H-imidazol-5-yl)methanol82594-81-82-Nitroimidazole-4-methanolhydroxymethylnitroimidazoleSCHEMBL1977830SCHEMBL1979723GLJCQPWJBWFPME-UHFFFAOYSA-NDTXSID701008688AKOS006355019(2-Nitro-1H-imidazol-4-yl)methanol #(2-nitro-1H-imidazol-4-yl)methanol1H-Imidazole-4-carboxaldehyde, 2-nitro
Show more names
1H-Imidazole-5-carboxaldehyde, 2-nitro-1H-Imidazole-4-carboxaldehyde, 2-nitro- (9CI)
Database identifiers
- CAS
89176-71-6- PubChem CID
- 588388
- DTXSID
DTXSID701008688
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Melting point
- 160 · 160-161 °C
- Boiling point
- 469.3 · 469.3±37.0 °C(Predicted)
- Density
- 1.669 · 1.669±0.06 g/cm3(Predicted)
- pka
- 5.88 · 5.88±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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