Completing data — usually done within a minute
Basic information
- CAS
4568-82-5- Standard SMILES
O=C(c1ccoc1)c1cc(I)c(O)c(I)c1- InChIKey
DSMAKSBPYQIPQF-UHFFFAOYSA-N- Molecular formula
- C11H6I2O3
- Average molar mass
- 439.97 g/mol
- Monoisotopic mass
- 439.84064005
Names & identifiers
- Preferred name
- Ketone, 3,5-diiodo-4-hydroxyphenyl 2-furyl
- IUPAC
- furan-3-yl-(4-hydroxy-3,5-diiodophenyl)methanone
Names & synonyms
DB 134KETONE, 3,5-DIIODO-4-HYDROXYPHENYL 2-FURYL4568-82-53,5-Diiodo-4-hydroxyphenyl 2-furyl ketoneDiiodo-3,3 hydroxy-4 benzoyl 2 furanne [French]Diiodo-3,3 hydroxy-4 benzoyl 2 furanneDTXSID00196593RefChem:350408DTXCID40119084(Furan-3-yl)(4-hydroxy-3,5-diiodophenyl)methanone
Database identifiers
- CAS
4568-82-5- PubChem CID
- 20703
- DTXSID
DTXSID00196593
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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