4-Bromo-2-fluoro-1-(4-octoxyphenyl)benzene
Basic information
- CAS
116831-32-4- Standard SMILES
CCCCCCCCOc1ccc(-c2ccc(Br)cc2F)cc1- InChIKey
GNHQJBAQBHWKSP-UHFFFAOYSA-N- Molecular formula
- C20H24BrFO
- Average molar mass
- 379.3 g/mol
- Monoisotopic mass
- 378.09946
Names & identifiers
- Preferred name
- 4-Bromo-2-fluoro-1-(4-octoxyphenyl)benzene
- IUPAC
- 4-bromo-2-fluoro-1-(4-octoxyphenyl)benzene
- English name
- 4-bromo-2-fluoro-4'-(octyloxy)-1,1'-biphenyl
- Molecular formula
- C20H24BrFO
- Molecular weight
- 379.3063632
Names & synonyms
4-octyloxy-2'-fluoro-4'-bromobiphenyl4-bromo-2-fluoro-1-(4-octoxyphenyl)benzeneSCHEMBL9060955GNHQJBAQBHWKSP-UHFFFAOYSA-N4-Bromo-2-fluoro-4'-octyloxy-biphenyl4-bromo-2-fluoro-4'-(octyloxy)-1,1'-biphenylAA-516/33243020
Database identifiers
- CAS
116831-32-4- PubChem CID
- 1715664
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 304
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
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Related reactions
1 records
Compound notes
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