Basic information
- CAS
76215-48-0- Standard SMILES
FC(F)(F)C1(C(F)(F)F)OI(Cl)c2ccccc21- InChIKey
OZKRCZLRJJDXGU-UHFFFAOYSA-N- Molecular formula
- C9H4ClF6IO
- Average molar mass
- 404.47 g/mol
- Monoisotopic mass
- 403.88996
Names & identifiers
- Preferred name
- 1-Chloro-3,3-bis(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxole
- IUPAC
- 1-chloro-3,3-bis(trifluoromethyl)-1λ3,2-benziodoxole
Names & synonyms
76215-48-0DTXSID003200731-Chloro-3,3-bis(trifluoromethyl)-1,3-dihydro-1lambda~3~,2-benziodoxoleRefChem:229315DTXCID40271196NSC354417OZKRCZLRJJDXGU-UHFFFAOYSA-NNSC-3544171,2-Benziodoxole, 1-chloro-1,3-dihydro-3,3-bis(trifluoromethyl)-
Database identifiers
- CAS
76215-48-0- PubChem CID
- 337240
- DTXSID
DTXSID00320073- Nikkaji
- J2.707.548G
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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