Basic information
- CAS
1261947-82-3- Standard SMILES
O=C(O)c1c(F)cccc1-c1ccccc1CO- InChIKey
YZKRQJXWKJCLPE-UHFFFAOYSA-N- Molecular formula
- C14H11FO3
- Average molar mass
- 246.23 g/mol
- Monoisotopic mass
- 246.06922237
Names & identifiers
- Preferred name
- 6-Fluoro-2-(2-hydroxymethylphenyl)benzoic acid
- IUPAC
- 2-fluoro-6-[2-(hydroxymethyl)phenyl]benzoic acid
Names & synonyms
1261947-82-36-FLUORO-2-(2-HYDROXYMETHYLPHENYL)BENZOIC ACIDDTXSID306890492-fluoro-6-[2-(hydroxymethyl)phenyl]benzoic acid6-Fluoro-2-(2-hydroxymethylphenyl)benzoic acid, 95%3-Fluoro-2'-(hydroxymethyl)[1,1'-biphenyl]-2-carboxylic acid
Database identifiers
- CAS
1261947-82-3- PubChem CID
- 53225317
- DTXSID
DTXSID30689049
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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