Basic information
- CAS
124311-19-9- Standard SMILES
Oc1c(I)cc(I)c(Br)c1I- InChIKey
JANLOHOAQTVPQZ-UHFFFAOYSA-N- Molecular formula
- C6H2BrI3O
- Average molar mass
- 550.7 g/mol
- Monoisotopic mass
- 549.64232078
Names & identifiers
- Preferred name
- Phenol, 3-bromo-2,4,6-triiodo-
- IUPAC
- 3-bromo-2,4,6-triiodophenol
Names & synonyms
3-bromo-2,4,6-triiodophenol124311-19-9Phenol, 3-bromo-2,4,6-triiodo-SCHEMBL7932602DTXSID10436811JANLOHOAQTVPQZ-UHFFFAOYSA-N
Database identifiers
- CAS
124311-19-9- PubChem CID
- 10218345
- DTXSID
DTXSID10436811
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 146
Related reactions
4 records
Compound notes
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