Basic information
- Standard SMILES
O=C(O)c1cc(Oc2ccc(F)cc2)cc(C(=O)O)c1- InChIKey
OPMJRWNUJOBQPF-UHFFFAOYSA-N- Molecular formula
- C14H9FO5
- Average molar mass
- 276.22 g/mol
- Monoisotopic mass
- 276.04340155
Names & identifiers
- Preferred name
- 5-(4-Fluorophenoxy)isophthalic acid
- IUPAC
- 5-(4-fluorophenoxy)benzene-1,3-dicarboxylic acid
Names & synonyms
SCHEMBL184818OPMJRWNUJOBQPF-UHFFFAOYSA-N5-(4-fluorophenoxy)isophthalic acid
Database identifiers
- PubChem CID
- 66616636
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Related reactions
1 records
Compound notes
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