Basic information
- CAS
131167-13-0- Standard SMILES
Clc1cc2c(cc1Cl)Oc1c(cc(Cl)c(Br)c1Cl)O2- InChIKey
RMJLHLVWECBHAN-UHFFFAOYSA-N- Molecular formula
- C12H3BrCl4O2
- Average molar mass
- 400.9 g/mol
- Monoisotopic mass
- 397.80705
Names & identifiers
- Preferred name
- 2-Bromo-1,3,7,8-tetrachlorodibenzo-p-dioxin
- IUPAC
- 2-bromo-1,3,7,8-tetrachlorodibenzo-p-dioxin
Names & synonyms
2-Bromo-1,3,7,8-tetrachlorodibenzo-p-dioxin2-bromo-1,3,7,8-tetrachloro-dibenzo-p-dioxin131167-13-0Ethyl 2-tributylstannyl-2-propenoate; Ethyl 2-tributylstannylmethacrylate2-BROMO-1,3,7,8-TETRACHLOROOXANTHRENEDTXSID80927100RMJLHLVWECBHAN-UHFFFAOYSA-NNS00001930
Database identifiers
- CAS
131167-13-0- PubChem CID
- 526342
- DTXSID
DTXSID80927100- Nikkaji
- J584.171B
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section167.4 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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