Basic information
- CAS
2342-47-4- Standard SMILES
CCCCCCC(=O)c1cc(F)cc(Br)c1O- InChIKey
FDAFEAORXRUCNA-UHFFFAOYSA-N- Molecular formula
- C13H16BrFO2
- Average molar mass
- 303.17 g/mol
- Monoisotopic mass
- 302.03177
Names & identifiers
- Preferred name
- 1-(3-Bromo-5-fluoro-2-hydroxyphenyl)heptan-1-one
- IUPAC
- 1-(3-bromo-5-fluoro-2-hydroxyphenyl)heptan-1-one
Names & synonyms
2342-47-41-(3-bromo-5-fluoro-2-hydroxyphenyl)heptan-1-oneNSC88509DTXSID40946079NSC-885091-(3-bromo-5-fluoro-2-hydroxyphenyl)-1-heptanone
Database identifiers
- CAS
2342-47-4- PubChem CID
- 259017
- DTXSID
DTXSID40946079
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…