2',3'-Difluoro-4,4''-dipentyl-p-terphenyl
Basic information
- CAS
121218-76-6- Standard SMILES
CCCCCc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)c(F)c2F)cc1- InChIKey
SHOOFWOHSBBDAM-UHFFFAOYSA-N- Molecular formula
- C28H32F2
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.24720734
Names & identifiers
- Preferred name
- 2',3'-Difluoro-4,4''-dipentyl-p-terphenyl
- IUPAC
- 2,3-difluoro-1,4-bis(4-pentylphenyl)benzene
Names & synonyms
121218-76-62',3'-difluoro-4,4''-dipentyl-p-terphenylSCHEMBL9494022DTXSID605609932',3'-Difluoro-4,4''-dipentyl-[1,1';4',1'']terphenyl2~2~,2~3~-Difluoro-1~4~,3~4~-dipentyl-1~1~,2~1~:2~4~,3~1~-terphenyl
Database identifiers
- CAS
121218-76-6- PubChem CID
- 14495751
- DTXSID
DTXSID60560993- Nikkaji
- J271.205I
Properties
Computed structural properties
- XLogP
- 10.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 406
Experimental & physicochemical properties
SpringerMaterials PropertiesClearing parameter
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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