4,5,6,7-Tetrachloro-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione
Basic information
- CAS
19931-26-1- Standard SMILES
O=C1OC(=O)C2C1C1(Cl)CC2(Cl)C(Cl)=C1Cl- InChIKey
FJDLXLHNYCLTEA-UHFFFAOYSA-N- Molecular formula
- C9H4Cl4O3
- Average molar mass
- 301.9 g/mol
- Monoisotopic mass
- 299.891455
Names & identifiers
- Preferred name
- 4,5,6,7-Tetrachloro-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione
- IUPAC
- 1,7,8,9-tetrachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Names & synonyms
19931-26-14,5,6,7-tetrachloro-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dioneNSC18236DTXSID20280721NSC-18236
Database identifiers
- CAS
19931-26-1- PubChem CID
- 227073
- DTXSID
DTXSID20280721
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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