Basic information
- CAS
80540-69-8- Standard SMILES
FC(F)(F)C1(C(F)(F)F)OI2(Br)(OC(C(F)(F)F)(C(F)(F)F)c3ccccc32)c2ccccc21- InChIKey
GUMLMRULKKERHZ-UHFFFAOYSA-N- Molecular formula
- C18H8BrF12IO2
- Average molar mass
- 691 g/mol
- Monoisotopic mass
- 689.85608
Names & identifiers
- Preferred name
- 1-Bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1lambda5,2-benziodoxole]
- IUPAC
- 1-bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1λ5,2-benziodoxole]
Names & synonyms
80540-69-8NSC361410DTXSID30320561NSC-3614101-Bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1lambda5,2-benziodoxole]Iodine, bis[.alpha.,.alpha.-bis(trifluoromethyl)benzenemethanolato(2-)-C2,O.alpha.]bromo-1-Bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,3'-dihydro-3H-1lambda~5~-1,1'-spirobi[[1,2]benziodoxole]
Database identifiers
- CAS
80540-69-8- PubChem CID
- 338490
- DTXSID
DTXSID30320561
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 0
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 741
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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