5-Fluorobenzofuran-3-carbaldehyde
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Basic information
- CAS
721943-19-7- Standard SMILES
O=Cc1coc2ccc(F)cc12- InChIKey
LUAQHOIIXDJUOY-UHFFFAOYSA-N- Molecular formula
- C9H5FO2
- Average molar mass
- 164.13 g/mol
- Monoisotopic mass
- 164.02735756
Names & identifiers
- Preferred name
- 5-Fluorobenzofuran-3-carbaldehyde
- IUPAC
- 5-fluoro-1-benzofuran-3-carbaldehyde
- English name
- 3-Benzofurancarboxaldehyde,5-fluoro-(9CI)
- Molecular formula
- C9H5FO2
- Molecular weight
- 164.13
Names & synonyms
5-Fluorobenzofuran-3-carbaldehyde721943-19-75-Fluoro-1-benzofuran-3-carbaldehyde3-Benzofurancarboxaldehyde, 5-fluoro-5-Fluorobenzofuran-3-carboxaldehydeMFCD131917855-Fluoro-3-benzofurancarboxaldehyde3-Benzofurancarboxaldehyde,5-fluoro-(9CI)SCHEMBL4989809DTXSID70648791LUAQHOIIXDJUOY-UHFFFAOYSA-N5-Fluoro-benzofuran-3-carbaldehyde
Show more names
AKOS016007261AC-27179DS-16029SY113051DB-074530CS-0005544P16440F622738
Database identifiers
- CAS
721943-19-7- PubChem CID
- 25129802
- DTXSID
DTXSID70648791
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 118 · 118-119℃
- Boiling point
- 255.7 · 255.7±20.0 °C(Predicted)
- Density
- 1.342 · 1.342
- storage temp.
- 2 · 2-8°C
- Appearance
- Light yellow to yellow Solid
Related reactions
4 records
Compound notes
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