2-[2-(3-Fluorophenyl)ethyl]benzoic acid
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Basic information
- CAS
1210234-63-1- Standard SMILES
O=C(O)c1ccccc1CCc1cccc(F)c1- InChIKey
TVIAPJHBTMIHJS-UHFFFAOYSA-N- Molecular formula
- C15H13FO2
- Average molar mass
- 244.26 g/mol
- Monoisotopic mass
- 244.08995782
Names & identifiers
- Preferred name
- 2-[2-(3-Fluorophenyl)ethyl]benzoic acid
- IUPAC
- 2-[2-(3-fluorophenyl)ethyl]benzoic acid
- English name
- 3-[(2-Carboxyphenyl)ethyl]fluorobenzene
- Molecular formula
- C15H13FO2
- Molecular weight
- 244.26
Names & synonyms
2-[2-(3-Fluorophenyl)ethyl]benzoic acid1210234-63-1SBB0998563-[(2-Carboxyphenyl)ethyl]fluorobenzeneBenzoic acid, 2-[2-(3-fluorophenyl)ethyl]-
Database identifiers
- CAS
1210234-63-1- PubChem CID
- 45933749
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Boiling point
- 356.4 · 356.4±22.0 °C(Predicted)
- Density
- 1.223 · 1.223±0.06 g/cm3(Predicted)
- pka
- 4.08 · 4.08±0.36(Predicted)
- HS Code
- 2916399090 · 2916399090
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
- hs_code
- 2916399090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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