1-[4-(4-Fluorophenyl)-4-oxobutyl]-4-(1,3-oxazol-2-YL)pyridin-1-ium perchlorate
Basic information
- CAS
61334-98-3- Standard SMILES
O=C(CCC[n+]1ccc(-c2ncco2)cc1)c1ccc(F)cc1.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
NOWORUQAQMVLTD-UHFFFAOYSA-M- Molecular formula
- C18H16ClFN2O6
- Average molar mass
- 410.8 g/mol
- Monoisotopic mass
- 410.0680921
Names & identifiers
- Preferred name
- 1-[4-(4-Fluorophenyl)-4-oxobutyl]-4-(1,3-oxazol-2-YL)pyridin-1-ium perchlorate
- IUPAC
- 1-(4-fluorophenyl)-4-[4-(1,3-oxazol-2-yl)pyridin-1-ium-1-yl]butan-1-one perchlorate
Names & synonyms
61334-98-3SCHEMBL11788968DTXSID00818369NOWORUQAQMVLTD-UHFFFAOYSA-M1-[4-(4-FLUOROPHENYL)-4-OXOBUTYL]-4-(1,3-OXAZOL-2-YL)PYRIDIN-1-IUM PERCHLORATE1-(3-p-fluorobenzoylpropyl)- 4-(2-oxazolyl)pyridinium perchlorate1-(3-p-fluorobenzoylpropyl)-4-(2-oxazolyl)pyridinium perchlorate
Database identifiers
- CAS
61334-98-3- PubChem CID
- 71396830
- DTXSID
DTXSID00818369
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 473
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…