2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5-nitro-1H-imidazole-1-ethanol
Basic information
- CAS
74550-86-0- Standard SMILES
O=[N+]([O-])c1cnc(C=Cc2ccc3c(c2)OCO3)n1CCO- InChIKey
BVVIKCLECBDUPE-UHFFFAOYSA-N- Molecular formula
- C14H13N3O5
- Average molar mass
- 303.27 g/mol
- Monoisotopic mass
- 303.08552052
Names & identifiers
- Preferred name
- 2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5-nitro-1H-imidazole-1-ethanol
- IUPAC
- 2-[2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5-nitroimidazol-1-yl]ethanol
Names & synonyms
DA 38321H-Imidazole-1-ethanol, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-5-nitro-2-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5-nitro-1H-imidazole-1-ethanol
Database identifiers
- CAS
74550-86-0- PubChem CID
- 94674
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 427
Experimental & physicochemical properties
LogP2.03
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…