Basic information
- CAS
477860-06-3- Standard SMILES
O=C(O)c1ccc(-c2ccc(OCCCCCO)cc2)c(F)c1- InChIKey
OYTPKZRAPXFUOV-UHFFFAOYSA-N- Molecular formula
- C18H19FO4
- Average molar mass
- 318.3 g/mol
Names & identifiers
- Preferred name
- 2-Fluoro-4'-[(5-hydroxypentyl)oxy][1,1'-biphenyl]-4-carboxylic acid
- IUPAC
- 3-fluoro-4-[4-(5-hydroxypentoxy)phenyl]benzoic acid
- English name
- 2-Fluoro-4'-[(5-hydroxypentyl)oxy][1,1'-biphenyl]-4-carboxylic acid
- Molecular formula
- C18H19FO4
- Molecular weight
- 318.34
Names & synonyms
477860-06-32-fluoro-4'-[(5-hydroxypentyl)oxy][1,1'-biphenyl]-4-carboxylic acid3-fluoro-4-[4-(5-hydroxypentoxy)phenyl]benzoic Acid2-fluoro-4'-[(5-hydroxypentyl)oxy]-[1,1'-biphenyl]-4-carboxylic acidC18H19FO4MFCD01814576AKOS00508088112N-1732-Fluoro-4-[(5-hydroxypentyl)oxy][1,1-biphenyl]-4-carboxylic acid2-fluoro-4'-[(5-hydroxypentyl)oxy]-[1,1'-biphenyl]-4-carboxylicacid[1,1'-Biphenyl]-4-carboxylic acid, 2-fluoro-4'-[(5-hydroxypentyl)oxy]-
Database identifiers
- CAS
477860-06-3
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 505.3 · 505.3±50.0 °C(Predicted)
- Density
- 1.229 · 1.229±0.06 g/cm3(Predicted)
- pka
- 3.93 · 3.93±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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