4'-(4-Butoxybutoxy)-2',3'-difluorobiphenyl-4-carboxylic acid
Basic information
- Standard SMILES
CCCCOCCCCOc1ccc(-c2ccc(C(=O)O)cc2)c(F)c1F- InChIKey
FMFDITWRCLJRSB-UHFFFAOYSA-N- Molecular formula
- C21H24F2O4
- Average molar mass
- 378.4 g/mol
Names & identifiers
- Preferred name
- 4'-(4-Butoxybutoxy)-2',3'-difluorobiphenyl-4-carboxylic acid
- IUPAC
- 4-[4-(4-butoxybutoxy)-2,3-difluorophenyl]benzoic acid
Names & synonyms
SCHEMBL6002017FMFDITWRCLJRSB-UHFFFAOYSA-N4'-(4-Butoxybutoxy)-2',3'-difluorobiphenyl-4-carboxylic acid
Database identifiers
- PubChem CID
- 22016253
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 426
Related reactions
2 records
Compound notes
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