Basic information
- CAS
92630-45-0- Standard SMILES
O=C(C(=Nc1ccccc1)C(=O)c1ccc(Cl)cc1)c1ccccc1- InChIKey
YXYFZWOJOPZJEJ-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-(4-chlorophenyl)-2-(phenylimino)-3-phenyl-
- IUPAC
- 1-(4-chlorophenyl)-3-phenyl-2-phenyliminopropane-1,3-dione
- English name
- 1-(4-chlorophenyl)-3-phenyl-2-phenylimino-propane-1,3-dione
- Molecular formula
- C21H14ClNO2
- Molecular weight
- 347.8
Names & synonyms
92630-45-0Propane-1,3-dione, 1-(4-chlorophenyl)-2-(phenylimino)-3-phenyl-1-(4-chlorophenyl)-3-phenyl-2-phenyliminopropane-1,3-dione1-(4-chlorophenyl)-3-phenyl-2-phenylimino-propane-1,3-dione
Database identifiers
- CAS
92630-45-0- PubChem CID
- 145252
Properties
Computed structural properties
- 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
- 496
Physicochemical properties
- Boiling point
- 512.714 · 512.714±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
- -1.559 · -1.559±0.50(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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