Basic information
- CAS
109333-30-4- Standard SMILES
Brc1cc(Br)c2c(c1)Oc1cc(Br)cc(Br)c1O2- InChIKey
XQDUOAUBGVDINZ-UHFFFAOYSA-N- Molecular formula
- C12H4Br4O2
- Average molar mass
- 499.77 g/mol
- Monoisotopic mass
- 495.69448
Names & identifiers
- Preferred name
- 1,3,7,9-Tetrabromodibenzo-p-dioxin
- IUPAC
- 1,3,7,9-tetrabromodibenzo-p-dioxin
- English name
- 1,3,7,9-Tetrabromodibenzo[b,e][1,4]dioxin
- Molecular formula
- C12H4Br4O2
- Molecular weight
- 499.78
Names & synonyms
1,3,7,9-Tetrabromodibenzo-p-dioxin109333-30-4CHEMBL1350261,3,7,9-tetrabromooxanthrene1,3,7,9-Tetrabromodibenzo[b,e][1,4]dioxinDibenzo(b,e)(1,4)dioxin, 1,3,7,9-tetrabromo-DTXSID2074116BDBM50408322NS00126693
Database identifiers
- CAS
109333-30-4- PubChem CID
- 86291
- DTXSID
DTXSID2074116- ChEMBL
CHEMBL135026- Nikkaji
- J373.782I
Properties
Computed structural properties
- XLogP
- 6.5
- 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
- 288
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3,7,9-Tetrabromodibenzo-p-dioxin (109333-30-4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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