Basic information
- Standard SMILES
CCCC12CCC(=O)C=C1c1c(cc(OCC#N)c(Cl)c1Cl)C2- InChIKey
BIHBIEDMLGAOCR-UHFFFAOYSA-N- Molecular formula
- C18H17Cl2NO2
- Average molar mass
- 350.2 g/mol
- Monoisotopic mass
- 349.0636342
Names & identifiers
- Preferred name
- [(5,6-dichloro-2,3,9,9a-tetrahydro-3-oxo-9a-propyl-1H-fluoren-7-yl)oxy]acetonitrile
- IUPAC
- 2-[(3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]acetonitrile
Names & synonyms
SCHEMBL9815620BIHBIEDMLGAOCR-UHFFFAOYSA-N(+) [(5,6-dichloro-2,3,9,9a-tetrahydro-3-oxo-9a-propy-1H-fluoren-7-yl)oxy]-acetonitrile[(5,6-dichloro-2,3,9,9a-tetrahydro-3-oxo-9a-propyl-1H-fluoren-7-yl)oxy]acetonitrile
Database identifiers
- PubChem CID
- 13686916
Properties
Computed structural properties
- XLogP
- 4.5
- 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
- 567
Related reactions
2 records
Linked notes
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