Basic information
- CAS
23431-16-5- Standard SMILES
O=C1C(=O)C(Cl)=C(Cl)C=C1Cl- InChIKey
LWYCZMFZIIJDMM-UHFFFAOYSA-N- Molecular formula
- C6HCl3O2
- Average molar mass
- 211.4 g/mol
- Monoisotopic mass
- 209.904212
Names & identifiers
- Preferred name
- 3,4,6-Trichloro-o-benzoquinone
- IUPAC
- 3,4,6-trichlorocyclohexa-3,5-diene-1,2-dione
- English name
- 2,3,5-trichlorocyclohexa-2,4-diene-1,6-dione
- Molecular formula
- C6HCl3O2
- Molecular weight
- 211.43
Names & synonyms
23431-16-5o-Benzoquinone, 3,4,6-trichloro-3,4,6-Trichloro-o-benzoquinone3,4,6-trichlorocyclohexa-3,5-diene-1,2-dione2,3,5-TRICHLOROCYCLOHEXA-2,4-DIENE-1,6-DIONESCHEMBL10945411DTXSID601779843,5-Cyclohexadiene-1,2-dione, 3,4,6-trichloro-
Database identifiers
- CAS
23431-16-5- PubChem CID
- 146752
- DTXSID
DTXSID60177984- Nikkaji
- J44.220H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Boiling point
- 197.5 · 197.5±40.0 °C(Predicted)
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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