Basic information
- CAS
5366-51-8- Standard SMILES
O=C(O)Cc1ccc(-c2ccccc2)cc1F- InChIKey
MZSNDIIUILXNMA-UHFFFAOYSA-N- Molecular formula
- C14H11FO2
- Average molar mass
- 230.23 g/mol
- Monoisotopic mass
- 230.07430775
Names & identifiers
- Preferred name
- 2-(3-Fluoro-[1,1'-biphenyl]-4-yl)acetic acid
- IUPAC
- 2-(2-fluoro-4-phenylphenyl)acetic acid
- English name
- 3-Fluoro-biphenyl-4-acetic acid
- Molecular formula
- C14H11FO2
- Molecular weight
- 230.23
Names & synonyms
5366-51-82-(3-Fluoro-[1,1'-biphenyl]-4-yl)acetic acid[1,1'-Biphenyl]-4-acetic acid, 3-fluoro-3-Fluoro-biphenyl-4-acetic acidMFCD119742793-Fluorobiphenyl-4-acetic acid4-phenyl-2-fluorophenylacetic acidSCHEMBL538898MZSNDIIUILXNMA-UHFFFAOYSA-N2-(2-fluoro-4-phenylphenyl)acetic acid2-(2-fluoro-4-phenyl-phenyl)acetic acidF79733
Database identifiers
- CAS
5366-51-8- PubChem CID
- 46314799
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Melting point
- 178 · 178-180 °C
- Boiling point
- 387.3 · 387.3±30.0 °C(Predicted)
- Density
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- pka
- 4.01 · 4.01±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Chemistry & industry
Suppliers2 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Related reactions
14 records
Compound notes
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