Basic information
- Standard SMILES
CCCCC12CCC(=O)C(C#N)=C1c1ccc(OC)c(Cl)c1C2- InChIKey
RIYYUOXDLTWNAZ-UHFFFAOYSA-N- Molecular formula
- C19H20ClNO2
- Average molar mass
- 329.8 g/mol
- Monoisotopic mass
- 329.1182566
Names & identifiers
- Preferred name
- 9a-butyl-8-chloro-4-cyano-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
- IUPAC
- 9a-butyl-8-chloro-7-methoxy-3-oxo-2,9-dihydro-1H-fluorene-4-carbonitrile
Names & synonyms
SCHEMBL2422111RIYYUOXDLTWNAZ-UHFFFAOYSA-N9a-butyl-8-chloro-4-cyano-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
Database identifiers
- PubChem CID
- 21990886
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 575
Related reactions
4 records
Compound notes
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