3,4-dichloro-5-(4-chlorophenyl)-5-hydroxy-2(5H)-furanone
Basic information
- CAS
892148-02-6- Standard SMILES
O=C1OC(O)(c2ccc(Cl)cc2)C(Cl)=C1Cl- InChIKey
LUAWWYDBSQNEMC-UHFFFAOYSA-N- Molecular formula
- C10H5Cl3O3
- Average molar mass
- 279.5 g/mol
- Monoisotopic mass
- 277.930427
Names & identifiers
- Preferred name
- 3,4-dichloro-5-(4-chlorophenyl)-5-hydroxy-2(5H)-furanone
- IUPAC
- 3,4-dichloro-5-(4-chlorophenyl)-5-hydroxyfuran-2-one
- English name
- 3,4-Dichloro-5-(4-chlorophenyl)-5-hydroxy-2(5H)-furanone
- Molecular formula
- C10H5Cl3O3
- Molecular weight
- 279.5
Names & synonyms
AKOS0244052433,4-dichloro-5-(4-chlorophenyl)-5-hydroxy-2(5H)-furanone2(5H)-Furanone, 3,4-dichloro-5-(4-chlorophenyl)-5-hydroxy-
Database identifiers
- CAS
892148-02-6- PubChem CID
- 4596038
- EC Number
- 121-810-1
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Boiling point
- 463.513 · 463.513±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.688 · 1.688±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.27 · 7.270±0.60(predicted)
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Compound notes
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