Basic information
- Standard SMILES
O=C(OCC[n+]1c[nH]c2ccccc21)c1ccc(F)cc1- InChIKey
ZWJSMPPWFRYPBE-UHFFFAOYSA-O- Molecular formula
- C16H14FN2O2+
- Average molar mass
- 285.29 g/mol
- Monoisotopic mass
- 285.10393086
Names & identifiers
- Preferred name
- 2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-fluorobenzoate
- IUPAC
- 2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-fluorobenzoate
Names & synonyms
2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-fluorobenzoateDTXSID101384264
Database identifiers
- PubChem CID
- 36897
- DTXSID
DTXSID101384264
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 1
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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