Basic information
- CAS
1469-91-6- Standard SMILES
O=c1cc(-c2ccc(Cl)cc2)oc(-c2ccc(Cl)cc2)c1- InChIKey
UHCSAGVHHGRIOU-UHFFFAOYSA-N- Molecular formula
- C17H10Cl2O2
- Average molar mass
- 317.2 g/mol
- Monoisotopic mass
- 316.0057849
Overview
See also: 2,6-Bis-(4-chloro-phenyl)-pyran-4-one (annotation moved to).
Names & identifiers
- Preferred name
- 2,6-Bis(4-chlorophenyl)-4H-pyran-4-one
- IUPAC
- 2,6-bis(4-chlorophenyl)pyran-4-one
Names & synonyms
2,6-Bis(4-chlorophenyl)-4H-pyran-4-one1469-91-6NSC85710DTXSID10292818UHCSAGVHHGRIOU-UHFFFAOYSA-NNSC-85710AKOS0243227714H-Pyran-4-one 2,6-bis[p-chlorophenyl]-2,6-Bis(4-chlorophenyl)-4H-pyran-4-one #
Database identifiers
- CAS
1469-91-6- PubChem CID
- 257574
- DTXSID
DTXSID10292818- Nikkaji
- J3.482.092I
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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