1-(3-Chloro-5-fluoro-2-hydroxyphenyl)hexan-1-one
Basic information
- CAS
1644-57-1- Standard SMILES
CCCCCC(=O)c1cc(F)cc(Cl)c1O- InChIKey
JNIVAYCOMPTKDM-UHFFFAOYSA-N- Molecular formula
- C12H14ClFO2
- Average molar mass
- 244.69 g/mol
- Monoisotopic mass
- 244.0666355
Names & identifiers
- Preferred name
- 1-(3-Chloro-5-fluoro-2-hydroxyphenyl)hexan-1-one
- IUPAC
- 1-(3-chloro-5-fluoro-2-hydroxyphenyl)hexan-1-one
Names & synonyms
1-(3-chloro-5-fluoro-2-hydroxyphenyl)hexan-1-one1644-57-1DTXSID90293308RefChem:224291DTXCID60244448NSC88507NSC-885071-(3-chloro-5-fluoro-2-hydroxyphenyl)-1-hexanone
Database identifiers
- CAS
1644-57-1- PubChem CID
- 259015
- DTXSID
DTXSID90293308
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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