Basic information
- Standard SMILES
CCOC(=O)CCCC(Br)C(=O)c1ccc(F)c2ccccc12- InChIKey
YGZQSMADMQQKDW-UHFFFAOYSA-N- Molecular formula
- C18H18BrFO3
- Average molar mass
- 381.2 g/mol
- Monoisotopic mass
- 380.04234
Names & identifiers
- Preferred name
- Ethyl 5-bromo-6-(4-fluoro-1-naphthyl)-6-oxohexanoate
- IUPAC
- ethyl 5-bromo-6-(4-fluoronaphthalen-1-yl)-6-oxohexanoate
Names & synonyms
SCHEMBL1360221YGZQSMADMQQKDW-UHFFFAOYSA-Nethyl 5-bromo-6-(4-fluoro-1-naphthyl)-6-oxohexanoate
Database identifiers
- PubChem CID
- 18174722
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 415
Related reactions
7 records
Compound notes
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