Propane-1,3-dione, 1-(3-chlorophenyl)-2-(phenylimino)-3-phenyl-
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Basic information
- CAS
92630-47-2- Standard SMILES
O=C(C(=Nc1ccccc1)C(=O)c1cccc(Cl)c1)c1ccccc1- InChIKey
UVIRDORSGFMUDY-FCDQGJHFSA-N- Molecular formula
- C21H14ClNO2
- Average molar mass
- 347.8 g/mol
- Monoisotopic mass
- 347.0713064
Names & identifiers
- Preferred name
- Propane-1,3-dione, 1-(3-chlorophenyl)-2-(phenylimino)-3-phenyl-
- IUPAC
- 1-(3-chlorophenyl)-3-phenyl-2-phenyliminopropane-1,3-dione
- English name
- Propane-1,3-dione, 1-(3-chlorophenyl)-2-(phenylimino)-3-phenyl-
- Molecular formula
- C21H14ClNO2
- Molecular weight
- 347.8
Names & synonyms
Propane-1,3-dione, 1-(3-chlorophenyl)-2-(phenylimino)-3-phenyl-92630-47-21-(3-chlorophenyl)-3-phenyl-2-phenyliminopropane-1,3-dione
Database identifiers
- CAS
92630-47-2- PubChem CID
- 145254
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 504
Physicochemical properties
- Boiling point
- 513.939 · 513.939±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.184 · 1.184±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.526 · -1.526±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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