1,2,3,4,7,7-Hexachloro-5-phenylbicyclo[2.2.1]hepta-2,5-diene
Basic information
- CAS
6558-27-6- Standard SMILES
ClC1=C(Cl)C2(Cl)C(c3ccccc3)=CC1(Cl)C2(Cl)Cl- InChIKey
YTYROSMTUXHMPY-UHFFFAOYSA-N- Molecular formula
- C13H6Cl6
- Average molar mass
- 374.9 g/mol
- Monoisotopic mass
- 371.860066
Names & identifiers
- Preferred name
- 1,2,3,4,7,7-Hexachloro-5-phenylbicyclo[2.2.1]hepta-2,5-diene
- IUPAC
- 1,2,3,4,7,7-hexachloro-5-phenylbicyclo[2.2.1]hepta-2,5-diene
Names & synonyms
6558-27-61,2,3,4,7,7-hexachloro-5-phenylbicyclo[2.2.1]hepta-2,5-dieneNSC38229DTXSID50328589YTYROSMTUXHMPY-UHFFFAOYSA-NNSC-38229
Database identifiers
- CAS
6558-27-6- PubChem CID
- 412222
- DTXSID
DTXSID50328589
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 487
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Related reactions
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Compound notes
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