Basic information
- CAS
122418-73-9- Standard SMILES
Clc1ccc2c(c1)Oc1c(Br)cc(Cl)cc1O2- InChIKey
KXISDFSRMWASLH-UHFFFAOYSA-N- Molecular formula
- C12H5BrCl2O2
- Average molar mass
- 331.97 g/mol
- Monoisotopic mass
- 329.885
Names & identifiers
- Preferred name
- 1-Bromo-3,8-dichlorooxanthrene
- IUPAC
- 1-bromo-3,8-dichlorodibenzo-p-dioxin
Names & synonyms
1-Bromo-3,8-dichlorooxanthrene122418-73-91-bromo-3,8-dichloro-dibenzo-p-dioxinDTXSID90153599KXISDFSRMWASLH-UHFFFAOYSA-N
Database identifiers
- CAS
122418-73-9- PubChem CID
- 180102
- DTXSID
DTXSID90153599
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
- 17
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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