Basic information
- CAS
101714-96-9- Standard SMILES
Ic1ccc2c(c1)Oc1ccccc1O2- InChIKey
HFNCLKQJJNAADD-UHFFFAOYSA-N- Molecular formula
- C12H7IO2
- Average molar mass
- 310.09 g/mol
- Monoisotopic mass
- 309.94908
Names & identifiers
- Preferred name
- 2-Monoiododibenzo-P-dioxin
- IUPAC
- 2-iododibenzo-p-dioxin
Names & synonyms
2-MONOIODODIBENZO-P-DIOXIN2-iododibenzo-p-dioxin101714-96-92-IODOOXANTHRENESCHEMBL27277420DTXSID40144139
Database identifiers
- CAS
101714-96-9- PubChem CID
- 58830
- DTXSID
DTXSID40144139- Nikkaji
- J1.598.390F
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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