Basic information
- Standard SMILES
CCCCC1Cc2c(cc(F)c(O)c2Br)C1=O- InChIKey
IWGAHJRKWSGSER-UHFFFAOYSA-N- Molecular formula
- C13H14BrFO2
- Average molar mass
- 301.15 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-2-butyl-6-fluoro-5-hydroxy-1-indanone
- IUPAC
- 4-bromo-2-butyl-6-fluoro-5-hydroxy-2,3-dihydroinden-1-one
Names & synonyms
SCHEMBL2414771IWGAHJRKWSGSER-UHFFFAOYSA-N4-bromo-2-butyl-6-fluoro-5-hydroxy-1-indanone
Database identifiers
- PubChem CID
- 21990852
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Related reactions
4 records
Compound notes
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