1,2,3,4,9,9-Hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-dione
Basic information
- CAS
38658-74-1- Standard SMILES
O=C1C=CC(=O)C2=C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl- InChIKey
ZGKZODKOAMGYRM-UHFFFAOYSA-N- Molecular formula
- C11H2Cl6O2
- Average molar mass
- 378.8 g/mol
- Monoisotopic mass
- 375.81859538
Names & identifiers
- Preferred name
- 1,2,3,4,9,9-Hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-dione
- IUPAC
- 1,8,9,10,11,11-hexachlorotricyclo[6.2.1.02,7]undeca-2(7),4,9-triene-3,6-dione
Names & synonyms
NSC2220438658-74-11,2,3,4,9,9-hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-dioneSCHEMBL11458789DTXSID90328361ZGKZODKOAMGYRM-UHFFFAOYSA-NNSC-22204
Database identifiers
- CAS
38658-74-1- PubChem CID
- 409565
- DTXSID
DTXSID90328361- Nikkaji
- J814.316A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 606
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Related reactions
5 records
Compound notes
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