Basic information
- Standard SMILES
CCCCC1Cc2c(cc(F)c(OC)c2Br)C1=O- InChIKey
RINWLULYKCGVBO-UHFFFAOYSA-N- Molecular formula
- C14H16BrFO2
- Average molar mass
- 315.18 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-2-butyl-6-fluoro-5-methoxy-1-indanone
- IUPAC
- 4-bromo-2-butyl-6-fluoro-5-methoxy-2,3-dihydroinden-1-one
Names & synonyms
SCHEMBL2416248RINWLULYKCGVBO-UHFFFAOYSA-N4-bromo-2-butyl-6-fluoro-5-methoxy-1-indanone
Database identifiers
- PubChem CID
- 21990906
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Related reactions
4 records
Compound notes
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