1,3-Propanedione, 2-chloro-1,3-diphenyl-
Basic information
- CAS
4571-27-1- Standard SMILES
O=C(c1ccccc1)C(Cl)C(=O)c1ccccc1- InChIKey
PRRYJBPJSBKURK-UHFFFAOYSA-N- Molecular formula
- C15H11ClO2
- Average molar mass
- 258.7 g/mol
- Monoisotopic mass
- 258.0447573
Names & identifiers
- Preferred name
- 1,3-Propanedione, 2-chloro-1,3-diphenyl-
- IUPAC
- 2-chloro-1,3-diphenylpropane-1,3-dione
Names & synonyms
1,3-Propanedione, 2-chloro-1,3-diphenyl-2-chloro-1,3-diphenylpropane-1,3-dione4571-27-1chlorodibenzoylmethaneNSC156163SCHEMBL23580141, 2-chloro-1,3-diphenyl-DTXSID30303036NSC-156163Propanedione, 2-chloro-1,3-diphenyl-
Database identifiers
- CAS
4571-27-1- PubChem CID
- 291207
- DTXSID
DTXSID30303036- Nikkaji
- J883.593D
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 272
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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