3-Ethyl-5-fluoro-4-hydroxybenzoic acid methyl ester
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Basic information
- Standard SMILES
CCc1cc(C(=O)OC)cc(F)c1O- InChIKey
YDOYMGSSYGSXBW-UHFFFAOYSA-N- Molecular formula
- C10H11FO3
- Average molar mass
- 198.19 g/mol
- Monoisotopic mass
- 198.06922237
Names & identifiers
- Preferred name
- 3-Ethyl-5-fluoro-4-hydroxybenzoic acid methyl ester
- IUPAC
- methyl 3-ethyl-5-fluoro-4-hydroxybenzoate
Names & synonyms
SCHEMBL398690YDOYMGSSYGSXBW-UHFFFAOYSA-N3-Ethyl-5-fluoro-4-hydroxybenzoic acid methyl ester
Database identifiers
- PubChem CID
- 58629752
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Related reactions
2 records
Compound notes
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