1,3-Bis(3,4-dichlorophenyl)propane-1,3-dione
Basic information
- CAS
34848-45-8- Standard SMILES
O=C(CC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1- InChIKey
OEYRXDDAZAQCNE-UHFFFAOYSA-N- Molecular formula
- C15H8Cl4O2
- Average molar mass
- 362 g/mol
- Monoisotopic mass
- 359.92784
Names & identifiers
- Preferred name
- 1,3-Bis(3,4-dichlorophenyl)propane-1,3-dione
- IUPAC
- 1,3-bis(3,4-dichlorophenyl)propane-1,3-dione
- English name
- 1,3-bis(3,4-dichlorophenyl)propane-1,3-dione
- Molecular formula
- C15H8Cl4O2
- Molecular weight
- 362.03
Names & synonyms
1,3-bis(3,4-dichlorophenyl)propane-1,3-dione34848-45-81,3-Di-(3,4-dichlorophenyl)-1,3-propanedioneMFCD08552925SCHEMBL9015106DTXSID70956343SBB022738STK349952AKOS000311351CS-0268730ST45098699EN300-230075
Show more names
1,3-Bis(3,4-dichlorophenyl)-1,3-propanedione1,3-Propanedione, 1,3-bis(3,4-dichlorophenyl)-
Database identifiers
- CAS
34848-45-8- PubChem CID
- 15664668
- DTXSID
DTXSID70956343- Nikkaji
- J461.405D
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Boiling point
- 508.1 · 508.1±50.0 °C(Predicted)
- Density
- 1.479 · 1.479±0.06 g/cm3(Predicted)
- pka
- 8.49 · 8.49±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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