4-bromo-9a-butyl-8-chloro-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
Basic information
- Standard SMILES
CCCCC12CCC(=O)C(Br)=C1c1ccc(OC)c(Cl)c1C2- InChIKey
BPNNKPJYOVCWAY-UHFFFAOYSA-N- Molecular formula
- C18H20BrClO2
- Average molar mass
- 383.7 g/mol
Names & identifiers
- Preferred name
- 4-bromo-9a-butyl-8-chloro-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
- IUPAC
- 4-bromo-9a-butyl-8-chloro-7-methoxy-2,9-dihydro-1H-fluoren-3-one
Names & synonyms
SCHEMBL2419019BPNNKPJYOVCWAY-UHFFFAOYSA-N4-bromo-9a-butyl-8-chloro-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
Database identifiers
- PubChem CID
- 21990872
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 489
Related reactions
5 records
Compound notes
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