Basic information
- CAS
727983-34-8- Standard SMILES
CCOc1cc(C=O)ccc1OCCn1c([N+](=O)[O-])cnc1C- InChIKey
YPVWNZIPADCUIV-UHFFFAOYSA-N- Molecular formula
- C15H17N3O5
- Average molar mass
- 319.31 g/mol
- Monoisotopic mass
- 319.11682065
Names & identifiers
- Preferred name
- 3-ethoxy-4-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethoxy]benzaldehyde
- IUPAC
- 3-ethoxy-4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]benzaldehyde
Names & synonyms
3-ethoxy-4-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethoxy]benzaldehyde727983-34-83-ethoxy-4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]benzaldehydeMLS001178253CHEMBL1378706DTXSID501320101HMS2915E03AKOS030698651SMR000590710CS-0221198EN300-08563G38498
Show more names
Z569420683-ethoxy-4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]benzaldehyde
Database identifiers
- CAS
727983-34-8- PubChem CID
- 3589847
- DTXSID
DTXSID501320101- ChEMBL
CHEMBL1378706
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 403
Experimental & physicochemical properties
Solubility18.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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