4-(4-Carboxy-3-fluorophenyl)-3-hydroxybenzoic acid
Basic information
- CAS
1261970-01-7- Standard SMILES
O=C(O)c1ccc(-c2ccc(C(=O)O)c(F)c2)c(O)c1- InChIKey
UQLIMYFJHZNUHF-UHFFFAOYSA-N- Molecular formula
- C14H9FO5
- Average molar mass
- 276.22 g/mol
- Monoisotopic mass
- 276.04340155
Names & identifiers
- Preferred name
- 4-(4-Carboxy-3-fluorophenyl)-3-hydroxybenzoic acid
- IUPAC
- 4-(4-carboxy-2-hydroxyphenyl)-2-fluorobenzoic acid
Names & synonyms
1261970-01-7MFCD183214954-(4-CARBOXY-3-FLUOROPHENYL)-3-HYDROXYBENZOIC ACIDDTXSID806909234-(4-carboxy-2-hydroxyphenyl)-2-fluorobenzoic acid4-(4-carboxy-2-hydroxy-phenyl)-2-fluoro-benzoic acid4-(4-Carboxy-3-fluorophenyl)-3-hydroxybenzoic acid, 95%3'-Fluoro-2-hydroxy[1,1'-biphenyl]-4,4'-dicarboxylic acid
Database identifiers
- CAS
1261970-01-7- PubChem CID
- 53227367
- DTXSID
DTXSID80690923
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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