Basic information
- CAS
46711-09-5- Standard SMILES
Clc1ccc2c(c1)[I+]c1cc(Cl)ccc1O2- InChIKey
WNCPBJRXRNRJEE-UHFFFAOYSA-N- Molecular formula
- C12H6Cl2IO+
- Average molar mass
- 363.98 g/mol
- Monoisotopic mass
- 362.88404
Names & identifiers
- Preferred name
- 3,7-Dichloropheniodoxin-5-ium ion
- IUPAC
- 5,13-dichloro-2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
Names & synonyms
3,7-Dichloropheniodoxin-5-ium ion7DW7RW2TV0Pheniodoxin-5-ium, 3,7-dichloro-UNII-7DW7RW2TV046711-09-5
Database identifiers
- CAS
46711-09-5- PubChem CID
- 32341
- UNII
- 7DW7RW2TV0
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 1
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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