Basic information
- CAS
397-62-6- Standard SMILES
O=C1OC(c2ccccc2)=NC1=Cc1cccc(F)c1- InChIKey
LEYZNNGXVVKDGN-UHFFFAOYSA-N- Molecular formula
- C16H10FNO2
- Average molar mass
- 267.25 g/mol
- Monoisotopic mass
- 267.06955672
Names & identifiers
- Preferred name
- 4-[(3-Fluorophenyl)methylene]-2-phenyl-5(4H)-oxazolone
- IUPAC
- 4-[(3-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
- English name
- 4-[(3-fluorophenyl)methylene]-2-phenyloxazol-5(4H)-one
- Molecular formula
- C16H10FNO2
- Molecular weight
- 267.26
Names & synonyms
397-62-64-[(3-Fluorophenyl)methylene]-2-phenyl-5(4H)-oxazolone4-((3-Fluorophenyl)methylene)-2-phenyl-5(4H)-oxazoloneRefChem:2863675(4H)-Oxazolone,4-[(3-fluorophenyl)methylene]-2-phenyl-4-[(3-Fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5(4H)-oneNSC-745024-[(3-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-oneXBW5NNY6UHIFLab1_003233DTXSID701211293AKOS030689115
Show more names
4-[(3-fluorophenyl)methylene]-2-phenyloxazol-5(4H)-one4-[(3-Fluorophenyl)methylene]-2-phenyl-2-oxazolin-5-one
NCI60_041632NS000432195(4H)-Oxazolone, 4-[(3-fluorophenyl)methylene]-2-phenyl-
Database identifiers
- CAS
397-62-6- PubChem CID
- 73541
- DTXSID
DTXSID701211293- UNII
- XBW5NNY6UH
- EC Number
- 206-908-5
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 438
Physicochemical properties
- Melting point
- 158 · 158-159 °C
- Boiling point
- 385.607 · 385.607±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.237 · 1.237±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.292 · -0.292±0.20(predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…