Basic information
- CAS
1019582-23-0- Standard SMILES
O=C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1- InChIKey
NNNCYELNJVIWSV-UHFFFAOYSA-N- Molecular formula
- C11H11FN2O3
- Average molar mass
- 238.21 g/mol
- Monoisotopic mass
- 238.07537038
Names & identifiers
- Preferred name
- 1-(4-Fluoro-2-nitrophenyl)piperidin-4-one
- IUPAC
- 1-(4-fluoro-2-nitrophenyl)piperidin-4-one
- English name
- 1-(4-fluoro-2-nitrophenyl)piperidin-4-one
- Molecular formula
- C11H11FN2O3
- Molecular weight
- 238.21
Names & synonyms
AKOS0002219981-(4-fluoro-2-nitrophenyl)piperidin-4-one4-Piperidinone, 1-(4-fluoro-2-nitrophenyl)-
Database identifiers
- CAS
1019582-23-0- PubChem CID
- 28411896
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Boiling point
- 410.6 · 410.6±45.0 °C(Predicted)
- Density
- 1.367 · 1.367±0.06 g/cm3(Predicted)
- pka
- 2.82 · 2.82±0.40(Predicted)
Chemistry & industry
Suppliers1 total
郑州药领医药科技有限公司13526569071 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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