Basic information
- CAS
1258618-89-1- Standard SMILES
O=Cc1cccc(-c2ccc(C(=O)O)c(F)c2)c1O- InChIKey
MOMULNPSFPMFCI-UHFFFAOYSA-N- Molecular formula
- C14H9FO4
- Average molar mass
- 260.22 g/mol
- Monoisotopic mass
- 260.04848693
Names & identifiers
- Preferred name
- 6-(4-Carboxy-3-fluorophenyl)-2-formylphenol
- IUPAC
- 2-fluoro-4-(3-formyl-2-hydroxyphenyl)benzoic acid
Names & synonyms
1258618-89-16-(4-CARBOXY-3-FLUOROPHENYL)-2-FORMYLPHENOLMFCD180865792-fluoro-4-(3-formyl-2-hydroxyphenyl)benzoic acidSCHEMBL2555984DTXSID206852522-fluoro-4-(3-formyl-2-hydroxy-phenyl)benzoic acid6-(4-Carboxy-3-fluorophenyl)-2-formylphenol, 95%3-Fluoro-3'-formyl-2'-hydroxy[1,1'-biphenyl]-4-carboxylic acid
Database identifiers
- CAS
1258618-89-1- PubChem CID
- 53220522
- DTXSID
DTXSID20685252
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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