Basic information
- CAS
67227-28-5- Standard SMILES
O=C(OCCCc1cc[nH+]cc1)C1c2ccccc2-c2ccccc21.[Cl-]- InChIKey
KPFGEWKBYVJJLH-UHFFFAOYSA-N- Molecular formula
- C22H20ClNO2
- Average molar mass
- 365.8 g/mol
- Monoisotopic mass
- 365.1182566
Names & identifiers
- Preferred name
- 3-(Pyridin-4-yl)propyl 9H-fluorene-9-carboxylate--hydrogen chloride (1/1)
- IUPAC
- 3-pyridin-1-ium-4-ylpropyl 9H-fluorene-9-carboxylate chloride
Names & synonyms
67227-28-5DTXSID809863533-(Pyridin-4-yl)propyl 9H-fluorene-9-carboxylate--hydrogen chloride (1/1)RefChem:1067232DTXCID601413537FLUORENE-9-CARBOXYLIC ACID, 3-(4-PYRIDYL)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67227-28-5- PubChem CID
- 49644
Properties
Computed structural properties
- Topological polar surface area
- 40.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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