1-(3-Bromo-5-fluoro-2-hydroxyphenyl)pentan-1-one
Basic information
- CAS
1813-21-4- Standard SMILES
CCCCC(=O)c1cc(F)cc(Br)c1O- InChIKey
KFMNJJWMOQVEJF-UHFFFAOYSA-N- Molecular formula
- C11H12BrFO2
- Average molar mass
- 275.11 g/mol
- Monoisotopic mass
- 274.00047
Names & identifiers
- Preferred name
- 1-(3-Bromo-5-fluoro-2-hydroxyphenyl)pentan-1-one
- IUPAC
- 1-(3-bromo-5-fluoro-2-hydroxyphenyl)pentan-1-one
Names & synonyms
1-(3-bromo-5-fluoro-2-hydroxyphenyl)pentan-1-one1813-21-4DTXSID50293309RefChem:224202DTXCID20244449NSC88510NSC-885101-(3-bromo-5-fluoro-2-hydroxyphenyl)-1-pentanone1-Pentanone, 1-(3-bromo-5-fluoro-2-hydroxyphenyl)-
Database identifiers
- CAS
1813-21-4- PubChem CID
- 259018
- DTXSID
DTXSID50293309
Properties
Computed structural properties
- XLogP
- 4
- 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
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Compound notes
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