Basic information
- Standard SMILES
CCc1ccc(Br)cc1C1C(=O)C2CCC(CC2)C1=O- InChIKey
GEOHKFDAJYXTFH-UHFFFAOYSA-N- Molecular formula
- C17H19BrO2
- Average molar mass
- 335.2 g/mol
Names & identifiers
- Preferred name
- 3-(5-Bromo-2-ethylphenyl)-bicyclo[3.2.2]nonane-2,4-dione
- IUPAC
- 3-(5-bromo-2-ethylphenyl)bicyclo[3.2.2]nonane-2,4-dione
Names & synonyms
SCHEMBL3027915GEOHKFDAJYXTFH-UHFFFAOYSA-N3-(5-bromo-2-ethylphenyl)bicyclo[3.2.2]nonane-2,4-dione3-(5-bromo-2-ethylphenyl)-bicyclo[3.2.2]nonane-2,4-dione
Database identifiers
- PubChem CID
- 68485502
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
Related reactions
2 records
Compound notes
Loading…