Basic information
- Standard SMILES
COc1cc(C(=O)O)cc(F)c1OC(C)C- InChIKey
KJNJEPAOVZWJBD-UHFFFAOYSA-N- Molecular formula
- C11H13FO4
- Average molar mass
- 228.22 g/mol
Names & identifiers
- Preferred name
- 3-Fluoro-4-isopropoxy-5-methoxybenzoic acid
- IUPAC
- 3-fluoro-5-methoxy-4-propan-2-yloxybenzoic acid
Names & synonyms
3-fluoro-4-isopropoxy-5-methoxybenzoic acid1400643-55-1SCHEMBL12492185KJNJEPAOVZWJBD-UHFFFAOYSA-NMFCD34761328DB-1283613-fluoro-4-isopropoxy-5-methoxy-benzoic acidH77201
Database identifiers
- PubChem CID
- 68290969
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 244
Related reactions
2 records
Compound notes
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