5-(2-Acetylphenyl)-2-fluorobenzoic acid
Basic information
- CAS
1345471-80-8- Standard SMILES
CC(=O)c1ccccc1-c1ccc(F)c(C(=O)O)c1- InChIKey
BQLBPFQXECRIIM-UHFFFAOYSA-N- Molecular formula
- C15H11FO3
- Average molar mass
- 258.24 g/mol
- Monoisotopic mass
- 258.06922237
Names & identifiers
- Preferred name
- 5-(2-Acetylphenyl)-2-fluorobenzoic acid
- IUPAC
- 5-(2-acetylphenyl)-2-fluorobenzoic acid
- English name
- 5-(2-Acetylphenyl)-2-fluorobenzoic acid
- Molecular formula
- C15H11FO3
- Molecular weight
- 258.24
Names & synonyms
5-(2-Acetylphenyl)-2-fluorobenzoic acid1345471-80-8MFCD20441869DTXSID50718365AKOS0252943415-(2-Acetylphenyl)-2-fluorobenzoicacidBS-249775-(2-acetylphenyl)-2-fluoro-benzoic acid2'-Acetyl-4-fluoro[1,1'-biphenyl]-3-carboxylic acid2'-Acetyl-4-fluoro-[1,1'-biphenyl]-3-carboxylic acid[1,1'-Biphenyl]-3-carboxylic acid, 2'-acetyl-4-fluoro-
Database identifiers
- CAS
1345471-80-8- PubChem CID
- 56776751
- DTXSID
DTXSID50718365
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- 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
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Related reactions
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Compound notes
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