4-[(4-Bromo-2-fluorophenyl)ethynyl]-4'-pentyl-1,1'-biphenyl
Basic information
- CAS
149647-68-7- Standard SMILES
CCCCCc1ccc(-c2ccc(C#Cc3ccc(Br)cc3F)cc2)cc1- InChIKey
PRXWLGVDSRAKBY-UHFFFAOYSA-N- Molecular formula
- C25H22BrF
- Average molar mass
- 421.3 g/mol
- Monoisotopic mass
- 420.08889
Names & identifiers
- Preferred name
- 4-[(4-Bromo-2-fluorophenyl)ethynyl]-4'-pentyl-1,1'-biphenyl
- IUPAC
- 4-bromo-2-fluoro-1-[2-[4-(4-pentylphenyl)phenyl]ethynyl]benzene
Names & synonyms
DTXSID0011815884-[(4-Bromo-2-fluorophenyl)ethynyl]-4'-pentyl-1,1'-biphenyl1,1a(2)-Biphenyl, 4-[(4-bromo-2-fluorophenyl)ethynyl]-4a(2)-pentyl-149647-68-7
Database identifiers
- CAS
149647-68-7- PubChem CID
- 85697251
- DTXSID
DTXSID001181588
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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