1,7,13,14-Tetrachloro-4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
Basic information
- CAS
14427-23-7- Standard SMILES
O=C1OC(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C2C(=O)OC(=O)C21- InChIKey
LDFYOAUEDOLDGH-UHFFFAOYSA-N- Molecular formula
- C12H4Cl4O6
- Average molar mass
- 386 g/mol
- Monoisotopic mass
- 383.876199
Names & identifiers
- Preferred name
- 1,7,13,14-Tetrachloro-4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
- IUPAC
- 1,7,13,14-tetrachloro-4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
Names & synonyms
NSC16398014427-23-7DTXSID40304034NSC-1639804,8,9,10-Tetrachlorohexahydro-1H,3H-4,8-ethenobenzo[1,2-c:4,5-c']difuran-1,3,5,7-tetrone
Database identifiers
- CAS
14427-23-7- PubChem CID
- 294871
- DTXSID
DTXSID40304034- Nikkaji
- J1.199.782A
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 627
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Compound notes
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