Basic information
- CAS
23585-80-0- Standard SMILES
Cc1cn(CCO)c([N+](=O)[O-])n1- InChIKey
ZLAUKQRQFQGZMX-UHFFFAOYSA-N- Molecular formula
- C6H9N3O3
- Average molar mass
- 171.15 g/mol
- Monoisotopic mass
- 171.06439116
Names & identifiers
- Preferred name
- Imidazole-1-ethanol, 4-methyl-2-nitro-
- IUPAC
- 2-(4-methyl-2-nitroimidazol-1-yl)ethanol
- English name
- 4-Methyl-2-nitro-1H-imidazole-1-ethanol
- Molecular formula
- C6H9N3O3
- Molecular weight
- 171.15
Names & synonyms
4-Methyl-2-nitroimidazole-1-ethanolImidazole-1-ethanol, 4-methyl-2-nitro-23585-80-0DTXSID70178225RefChem:348892DTXCID001007164-Methyl-2-nitro-1H-imidazole-1-ethanol2-(4-methyl-2-nitro-1H-imidazol-1-yl)ethan-1-ol1H-Imidazole-1-ethanol, 4-methyl-2-nitro-
Database identifiers
- CAS
23585-80-0- PubChem CID
- 90199
- DTXSID
DTXSID70178225- Nikkaji
- J49.331G
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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