Basic information
- CAS
2342-49-6- Standard SMILES
CCCCCCC(=O)c1cc(F)cc(Cl)c1O- InChIKey
POGPFFROPQKOOF-UHFFFAOYSA-N- Molecular formula
- C13H16ClFO2
- Average molar mass
- 258.71 g/mol
- Monoisotopic mass
- 258.0822856
Names & identifiers
- Preferred name
- 1-(3-Chloro-5-fluoro-2-hydroxyphenyl)heptan-1-one
- IUPAC
- 1-(3-chloro-5-fluoro-2-hydroxyphenyl)heptan-1-one
Names & synonyms
2342-49-61-(3-chloro-5-fluoro-2-hydroxyphenyl)heptan-1-oneNSC88506DTXSID50946080NSC-885061-(3-chloro-5-fluoro-2-hydroxyphenyl)-1-heptanone
Database identifiers
- CAS
2342-49-6- PubChem CID
- 259014
- DTXSID
DTXSID50946080
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…