Basic information
- CAS
1261944-69-7- Standard SMILES
COc1ccc(F)c(-c2cc(O)cc(C(=O)O)c2)c1- InChIKey
BVTKOXLQIVISJZ-UHFFFAOYSA-N- Molecular formula
- C14H11FO4
- Average molar mass
- 262.23 g/mol
- Monoisotopic mass
- 262.06413699
Names & identifiers
- Preferred name
- 3-(2-Fluoro-5-methoxyphenyl)-5-hydroxybenzoic acid
- IUPAC
- 3-(2-fluoro-5-methoxyphenyl)-5-hydroxybenzoic acid
Names & synonyms
1261944-69-73-(2-FLUORO-5-METHOXYPHENYL)-5-HYDROXYBENZOIC ACIDMFCD18320607DTXSID406901263-(2-fluoro-5-methoxy-phenyl)-5-hydroxy-benzoic acid3-(2-Fluoro-5-methoxyphenyl)-5-hydroxybenzoic acid, 95%2'-Fluoro-5-hydroxy-5'-methoxy[1,1'-biphenyl]-3-carboxylic acid
Database identifiers
- CAS
1261944-69-7- PubChem CID
- 53226508
- DTXSID
DTXSID40690126
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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