Basic information
- CAS
27728-29-6- Standard SMILES
O=C1C(Cl)=CC(=C2C=C(Cl)C(=O)C(Cl)=C2)C=C1Cl- InChIKey
LVEOTTHDAMKQML-UHFFFAOYSA-N- Molecular formula
- C12H4Cl4O2
- Average molar mass
- 322 g/mol
- Monoisotopic mass
- 319.89654
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3,3'5,5'-Tetrachlorodiphenoquinone
- IUPAC
- 2,6-dichloro-4-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one
- English name
- 3,3'5,5'-tetrachlorodiphenoquinone
- Molecular formula
- C12H4Cl4O2
- Molecular weight
- 321.97
Names & synonyms
TCDPQ3,3'5,5'-Tetrachlorodiphenoquinone27728-29-6LUV26KUT5UNSC-97139DTXSID301820802,5-Cyclohexadien-1-one, 2,6-dichloro-4-(3,5-dichloro-4-oxo-2,5-cyclohexadien-1-ylidene)-RefChem:90724DTXCID40104571NSC97139NSC 97139UNII-LUV26KUT5U
Show more names
CHEMBL311530SCHEMBL122676153,5,3',5'-Tetrachloro-bicyclohexylidene-2,5,2',5'-tetraene-4,4'-dioneAKOS0002795942,6-dichloro-4-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one3,3',5,5'-Tetrachloro[1,1'-bi(cyclohexa-2,5-dien-1-ylidene)]-4,4'-dione2,6-DICHLORO-4-(3,5-DICHLORO-4-OXO-2,5-CYCLOHEXADIEN-1-YLIDENE)-2,5-CYCLOHEXADIEN-1-ONE
Database identifiers
- CAS
27728-29-6- PubChem CID
- 97026
- DTXSID
DTXSID30182080- ChEMBL
CHEMBL311530- UNII
- LUV26KUT5U
- Nikkaji
- J994.666G
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- Boiling point
- 232.5 · 232.5±40.0 °C(Predicted)
- Density
- 1 · 1+-.0.1 g/cm3(Predicted)
- FDA UNII
- 26 KUT5U · LUV26KUT5U
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…