Basic information
- CAS
354546-26-2- Standard SMILES
CCc1c(C)sc(NC(=O)C=Cc2c(F)cccc2Cl)c1C#N- InChIKey
AZKOAEZXXLHXNW-UHFFFAOYSA-N- Molecular formula
- C17H14ClFN2OS
- Average molar mass
- 348.8 g/mol
- Monoisotopic mass
- 348.0499401
Names & identifiers
- Preferred name
- 3-(2-chloro-6-fluorophenyl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)prop-2-enamide
- IUPAC
- 3-(2-chloro-6-fluorophenyl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)prop-2-enamide
- English name
- 3-(2-chloro-6-fluorophenyl)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)acrylamide
- Molecular formula
- C17H14ClFN2OS
- Molecular weight
- 348.82
Names & synonyms
3-(2-chloro-6-fluorophenyl)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)acrylamide
Database identifiers
- CAS
354546-26-2- PubChem CID
- 840034
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 506
Physicochemical properties
- Boiling point
- 542.194 · 542.194±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.337 · 1.337±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.145 · 12.145±0.70(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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