AI 3-22376

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Basic information

CAS: 5836-04-4
Standard SMILES: ClC1=C(Cl)C2(Cl)C3C4C=CC(O4)C3C1(Cl)C2(Cl)Cl
InChIKey: RLRTXCXGNIUXCU-UHFFFAOYSA-N
Molecular formula: C11H6Cl6O
Average molar mass: 366.9 g/mol
Monoisotopic mass: 363.854981

Names & identifiers

Preferred name: AI 3-22376
IUPAC: 3,4,5,6,12,12-hexachloro-11-oxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
English name: 5,8-Epoxy-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4-methanonaphthalene
Molecular formula: C11H6Cl6O
Molecular weight: 366.88274

Names & synonyms

5836-04-4AI 3-22376RefChem:1076233Shell 52RL4552RL45SD-2642BRN 0033751AI3-223765,8-Methanonaphthalene, 1,4-epoxy-5,6,7,8,9,9-hexachloro-1,4,4a,5,8,8a-hexahydro-DTXSID409739211,4-Epoxy-5,8-methano-naphthalene-5,6,7,8,9,9-hexachloro-1,4,4a,5,8,8a-hexahydro-5,8-Epoxy-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4-methanonaphthalene

Show more names

1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-5,8-epoxy-1,4-methanonaphthalene

5,8-Epoxy-1,4-methanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-4-17-00-00520 (Beilstein Handbook Reference)5,6,7,8,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4-epoxy-5,8-methanonaphthalene

Database identifiers

CAS: 5836-04-4
PubChem CID: 201363
DTXSID: DTXSID40973921
Nikkaji: J53.703I

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 18
Formal charge: 0
Complexity: 486

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Compound notes

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