1,2,3,4,4,5,6,7-Octachlorobicyclo(3.2.0)hepta-2,6-diene
Basic information
- CAS
34004-45-0- Standard SMILES
ClC1=C(Cl)C2(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl- InChIKey
YFKSIMKOFQPMQX-UHFFFAOYSA-N- Molecular formula
- C7Cl8
- Average molar mass
- 367.7 g/mol
- Monoisotopic mass
- 363.750822
Names & identifiers
- Preferred name
- 1,2,3,4,4,5,6,7-Octachlorobicyclo(3.2.0)hepta-2,6-diene
- IUPAC
- 1,2,3,4,4,5,6,7-octachlorobicyclo[3.2.0]hepta-2,6-diene
- English name
- Octachlorobicyclo[3.2.0]hepta-2,6-diene
- Molecular formula
- C7Cl8
- Molecular weight
- 367.7
Names & synonyms
1,2,3,4,4,5,6,7-octachlorobicyclo[3.2.0]hepta-2,6-diene34004-45-01,2,3,4,4,5,6,7-OCTACHLOROBICYCLO(3.2.0)HEPTA-2,6-DIENERefChem:214242DTXSID501204321AKOS024405932Octachlorobicyclo[3.2.0]hepta-2,6-dieneBicyclo[3.2.0]hepta-2,6-diene, 1,2,3,4,4,5,6,7-octachloro-
Database identifiers
- CAS
34004-45-0- PubChem CID
- 4070146
- DTXSID
DTXSID501204321- Nikkaji
- J1.416.493F
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 421
Physicochemical properties
- Melting point
- 53 · 53-54 °C
- Boiling point
- 345.6 · 345.6±37.0 °C(Predicted)
- Density
- 1.96 · 1.96±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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