Basic information
- CAS
15997-77-0- Standard SMILES
O=C(CCCC12CCC(CC1)C[NH2+]C2)c1ccc(F)cc1.[Cl-]- InChIKey
NIZCYKDQUMEZSP-UHFFFAOYSA-N- Molecular formula
- C18H25ClFNO
- Average molar mass
- 325.8 g/mol
- Monoisotopic mass
- 325.1608703
Names & identifiers
- Preferred name
- Butyrophenone, 4-(3-azabicyclo(3.2.2)nonyl)-4'-fluoro-, hydrochloride
- IUPAC
- 4-(3-azoniabicyclo[3.2.2]nonan-1-yl)-1-(4-fluorophenyl)butan-1-one chloride
Names & synonyms
4-(3-Azabicyclo(3.2.2)nonyl)-4-fluorobutyrophenone hydrochloride15997-77-0BUTYROPHENONE, 4-(3-AZABICYCLO(3.2.2)NONYL)-4'-FLUORO-, HYDROCHLORIDERefChem:331449
Database identifiers
- CAS
15997-77-0- PubChem CID
- 27615
Properties
Computed structural properties
- Topological polar surface area
- 33.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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