Propane-1,3-dione, 1-(4-bromophenyl)-2-(phenylimino)-3-phenyl-
Basic information
- CAS
92630-46-1- Standard SMILES
O=C(C(=Nc1ccccc1)C(=O)c1ccc(Br)cc1)c1ccccc1- InChIKey
QPPXOJFNQSXZQX-FCDQGJHFSA-N- Molecular formula
- C21H14BrNO2
- Average molar mass
- 392.2 g/mol
- Monoisotopic mass
- 391.02079
Names & identifiers
- Preferred name
- Propane-1,3-dione, 1-(4-bromophenyl)-2-(phenylimino)-3-phenyl-
- IUPAC
- 1-(4-bromophenyl)-3-phenyl-2-phenyliminopropane-1,3-dione
- English name
- Propane-1,3-dione, 1-(4-bromophenyl)-2-(phenylimino)-3-phenyl-
- Molecular weight
- 392.25
Names & synonyms
Propane-1,3-dione, 1-(4-bromophenyl)-2-(phenylimino)-3-phenyl-92630-46-1
Database identifiers
- CAS
92630-46-1- PubChem CID
- 145253
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
- 525.646 · 525.646±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.321 · 1.321±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.559 · -1.559±0.50(predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…