Basic information
- CAS
122436-59-3- Standard SMILES
Clc1cc(Br)c2c(c1)Oc1c(Br)cc(Cl)cc1O2- InChIKey
ONFKSSOQJGAEGN-UHFFFAOYSA-N- Molecular formula
- C12H4Br2Cl2O2
- Average molar mass
- 410.9 g/mol
- Monoisotopic mass
- 407.79551
Names & identifiers
- Preferred name
- Dibenzo-p-dioxin, 1,6-dibromo-3,8-dichloro-
- IUPAC
- 1,6-dibromo-3,8-dichlorodibenzo-p-dioxin
Names & synonyms
1,6-dibromo-3,8-dichlorodibenzo-p-dioxinDibenzo-p-dioxin, 1,6-dibromo-3,8-dichloro-122436-59-3DTXSID50153611RefChem:337234DTXCID20761021,6-dibromo-3,8-dichloro-dibenzo-p-dioxin1,6-dibromo-3,8-dichlorooxanthreneONFKSSOQJGAEGN-UHFFFAOYSA-N
Database identifiers
- CAS
122436-59-3- PubChem CID
- 183554
- DTXSID
DTXSID50153611- Nikkaji
- J2.487.815E
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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