2,2,5-Endo,6-exo,8,9,9,10-octachlorobornane
Basic information
- CAS
58002-19-0- Standard SMILES
ClC[C@]1(C(Cl)Cl)[C@H]2CC(Cl)(Cl)[C@]1(CCl)[C@@H](Cl)[C@@H]2Cl- InChIKey
YNEKMCSWRMRXIR-OXYKIKQESA-N- Molecular formula
- C10H10Cl8
- Average molar mass
- 413.8 g/mol
- Monoisotopic mass
- 409.829072
Names & identifiers
- Preferred name
- 2,2,5-Endo,6-exo,8,9,9,10-octachlorobornane
- IUPAC
- (1R,4R,5R,6R,7S)-2,2,5,6-tetrachloro-1,7-bis(chloromethyl)-7-(dichloromethyl)bicyclo[2.2.1]heptane
Names & synonyms
2,2,5-Endo,6-exo,8,9,9,10-octachlorobornaneParlar 42b58002-19-0Octachlorobornane 64543LZ9P26J8KDTXSID201338252Bicyclo[2.2.1]heptane, 2,2,5,6-tetrachloro-1,7-bis(chloromethyl)-7-(dichloromethyl)-, (5-endo,6-exo,7-syn)-(+/-)-B 8-809Bicyclo[2.2.1]heptane, 2,2,5,6-tetrachloro-1,7-bis(chloromethyl)-7-(dichloromethyl)-, (1R,4R,5R,6R,7S)-rel-rel-(1R,4R,5R,6R,7S)-2,2,5,6-Tetrachloro-1,7-bis(chloromethyl)-7-(dichloromethyl)bicyclo[2.2.1]heptane
Database identifiers
- CAS
58002-19-0- PubChem CID
- 102000250
- DTXSID
DTXSID201338252- UNII
- 3LZ9P26J8K
- Nikkaji
- J770.801G
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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