Basic information
- CAS
445285-85-8- Standard SMILES
Cc1ccc(C=C2N=C(c3ccc(Cl)cc3)OC2=O)c2ccccc12- InChIKey
KOZRXVDKJHIJDB-UHFFFAOYSA-N- Molecular formula
- C21H14ClNO2
- Average molar mass
- 347.8 g/mol
- Monoisotopic mass
- 347.0713064
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-4-[(4-methylnaphthalen-1-yl)methylidene]-1,3-oxazol-5-one
- IUPAC
- 2-(4-chlorophenyl)-4-[(4-methylnaphthalen-1-yl)methylidene]-1,3-oxazol-5-one
- English name
- 2-(4-chlorophenyl)-4-[(4-methyl-1-naphthyl)methylene]-1,3-oxazol-5(4H)-one
- Molecular formula
- C21H14ClNO2
- Molecular weight
- 347.8
Names & synonyms
2-(4-chlorophenyl)-4-[(4-methyl-1-naphthyl)methylene]-1,3-oxazol-5(4H)-one
Database identifiers
- CAS
445285-85-8- PubChem CID
- 5078090
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 576
Physicochemical properties
- Boiling point
- 509.094 · 509.094±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.272 · 1.272±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.652 · -1.652±0.20(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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