Basic information
- CAS
142408-19-3- Standard SMILES
Brc1cc(Br)c2c(c1)oc1ccc(Br)cc12- InChIKey
NMVVTHPIGSTTDO-UHFFFAOYSA-N- Molecular formula
- C12H5Br3O
- Average molar mass
- 404.88 g/mol
- Monoisotopic mass
- 401.78905
Names & identifiers
- Preferred name
- 1,3,8-Tribromo-dibenzofuran
- IUPAC
- 1,3,8-tribromodibenzofuran
Names & synonyms
1,3,8-tribromo-dibenzofuran142408-19-3DTXSID40335641RefChem:217694DTXCID90286730NMVVTHPIGSTTDO-UHFFFAOYSA-N1,3,8-tribromodibenzofuran1,3,8-Tribromodibenzo[b,d]furan
Database identifiers
- CAS
142408-19-3- PubChem CID
- 526286
- DTXSID
DTXSID40335641
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Experimental & physicochemical properties
Collision Cross Section156.3 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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