4,7-Methanoisobenzofuran-5(3H)-one, 1(or 3),4,6,7,8,8-hexachlorohexahydro-
Completing data — refresh the page later to see the latest
Basic information
- CAS
26501-80-4- Standard SMILES
O=C1C(Cl)C2(Cl)C3C(Cl)OCC3C1(Cl)C2(Cl)Cl- InChIKey
CRAAWZGPLRCSTQ-UHFFFAOYSA-N- Molecular formula
- C9H6Cl6O2
- Average molar mass
- 358.9 g/mol
- Monoisotopic mass
- 355.849896
Names & identifiers
- Preferred name
- 4,7-Methanoisobenzofuran-5(3H)-one, 1(or 3),4,6,7,8,8-hexachlorohexahydro-
- IUPAC
- 1,3,7,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]decan-8-one
- English name
- 1,4,6,7,8,8-Hexachloro-1,3a,4,6,7,7a-hexahydro-4,7-methanoisobenzofuran-5(3H)-one
- Molecular formula
- C9H6Cl6O2
- Molecular weight
- 358.86
Names & synonyms
26501-80-44,7-Methanoisobenzofuran-5(3H)-one, 1(or 3),4,6,7,8,8-hexachlorohexahydro-RefChem:1069578Hooker hrs-1694ENT 27,237-XDTXSID009493691,4,6,7,8,8-Hexachlorohexahydro-4,7-methano-2-benzofuran-5(3H)-oneENT-27237X4,7-Methanoisobenzofuran-5(3H)-one, 1,4,6,7,8,8-hexachlorohexahydro-1,4,6,7,8,8-Hexachloro-1,3a,4,6,7,7a-hexahydro-4,7-methanoisobenzofuran-5(3H)-one
Database identifiers
- CAS
26501-80-4- PubChem CID
- 3035142
- DTXSID
DTXSID00949369- Nikkaji
- J41.746G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…