Basic information
- CAS
23571-38-2- Standard SMILES
Cc1cnc([N+](=O)[O-])n1CCO- InChIKey
FIIUIEQMEKWLPT-UHFFFAOYSA-N- Molecular formula
- C6H9N3O3
- Average molar mass
- 171.15 g/mol
- Monoisotopic mass
- 171.06439116
Names & identifiers
- Preferred name
- 1H-Imidazole-1-ethanol, 5-methyl-2-nitro-
- IUPAC
- 2-(5-methyl-2-nitroimidazol-1-yl)ethanol
- English name
- 2-Nitro-5-methyl-1H-imidazole-1-ethanol
- Molecular formula
- C6H9N3O3
- Molecular weight
- 171.15
Names & synonyms
23571-38-21H-Imidazole-1-ethanol, 5-methyl-2-nitro-DTXSID20178199RefChem:1057976DTXCID001006905-Methyl-2-nitroimidazole-1-ethanolL 6678BRN 0611681Imidazole-1-ethanol, 5-methyl-2-nitro-1H-Imidazole-1-ethanol, 5-methyl-2-nitro- (9CI)2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethan-1-olSCHEMBL24270457
Show more names
L-66785-Methyl-2-nitro-1H-imidazole-1-ethanol2-Nitro-5-methyl-1H-imidazole-1-ethanol
Database identifiers
- CAS
23571-38-2- PubChem CID
- 90177
- DTXSID
DTXSID20178199- Nikkaji
- J19.932J
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Experimental & physicochemical properties
LogP0.18
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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