Basic information
- Standard SMILES
O=[N+]([O-])c1nccn1CCC(CO)(CO)CF- InChIKey
WBYSKLZUHZUSHY-UHFFFAOYSA-N- Molecular formula
- C9H14FN3O4
- Average molar mass
- 247.22 g/mol
Names & identifiers
- Preferred name
- 1-(3,3-Dihydroxymethyl-4-fluorobutyl)-2-nitroimidazole
- IUPAC
- 2-(fluoromethyl)-2-[2-(2-nitroimidazol-1-yl)ethyl]propane-1,3-diol
Names & synonyms
SCHEMBL15899145WBYSKLZUHZUSHY-UHFFFAOYSA-N1-(3,3-dihydroxymethyl-4-fluorobutyl)-2-nitroimidazole
Database identifiers
- PubChem CID
- 78090767
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
Related reactions
1 records
Compound notes
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