3-(4-Fluoro-phenyl)-2-thiophen-2-yl-acrylic acid
Basic information
- CAS
104314-04-7- Standard SMILES
O=C(O)/C(=C/c1ccc(F)cc1)c1cccs1- InChIKey
SSDFXAHSMOGNIW-DHZHZOJOSA-N- Molecular formula
- C13H9FO2S
- Average molar mass
- 248.27 g/mol
- Monoisotopic mass
- 248.03072886
Names & identifiers
- Preferred name
- 3-(4-Fluoro-phenyl)-2-thiophen-2-yl-acrylic acid
- IUPAC
- (Z)-3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoic acid
- English name
- 3-(4-Fluoro-phenyl)-2-thiophen-2-yl-acrylic acid
- Molecular formula
- C13H9FO2S
- Molecular weight
- 248.27
Names & synonyms
104314-04-73-(4-Fluoro-phenyl)-2-thiophen-2-yl-acrylic acid3-(4-Fluorophenyl)-2-(thiophen-2-yl)acrylic acid3-(4-fluorophenyl)-2-(thiophen-2-yl)prop-2-enoic acidHMS1399M12AKOS000114517EN300-000653-(4-Fluorophenyl)-2-(thiophen-2-yl)acrylicacidZ56821884Reaxys ID: 44442742-Thiopheneacetic acid, α-[(4-fluorophenyl)methylene]-
Database identifiers
- CAS
104314-04-7- PubChem CID
- 2369082
- EC Number
- 188-431-1
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 342.4 · 342.4±32.0 °C(Predicted)
- Density
- 1.373 · 1.373±0.06 g/cm3(Predicted)
- pka
- 3.69 · 3.69±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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