Basic information
- CAS
1813-22-5- Standard SMILES
CCCCC(=O)c1cc(F)cc(Cl)c1O- InChIKey
DRLBGJNCXBFSLM-UHFFFAOYSA-N- Molecular formula
- C11H12ClFO2
- Average molar mass
- 230.66 g/mol
- Monoisotopic mass
- 230.0509855
Names & identifiers
- Preferred name
- 1-(3-Chloro-5-fluoro-2-hydroxyphenyl)pentan-1-one
- IUPAC
- 1-(3-chloro-5-fluoro-2-hydroxyphenyl)pentan-1-one
Names & synonyms
1813-22-51-(3-chloro-5-fluoro-2-hydroxyphenyl)pentan-1-oneNSC885081-Pentanone,1-(3-chloro-5-fluoro-2-hydroxyphenyl)-DTXSID00939427NSC-885081-(3-chloro-5-fluoro-2-hydroxyphenyl)-1-pentanone1-Pentanone, 1-(3-chloro-5-fluoro-2-hydroxyphenyl)-
Database identifiers
- CAS
1813-22-5- PubChem CID
- 259016
- DTXSID
DTXSID00939427
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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