Basic information
- CAS
50585-40-5- Standard SMILES
Clc1cc2c(cc1Cl)Oc1cc(Br)c(Br)cc1O2- InChIKey
SBSJXPIUKNBZND-UHFFFAOYSA-N- Molecular formula
- C12H4Br2Cl2O2
- Average molar mass
- 410.9 g/mol
- Monoisotopic mass
- 407.79551
Names & identifiers
- Preferred name
- Dibenzo(b,e)(1,4)dioxin, 2,3-dibromo-7,8-dichloro-
- IUPAC
- 2,3-dibromo-7,8-dichlorodibenzo-p-dioxin
Names & synonyms
2,3-DIBROMO-7,8-DICHLORODIBENZO-P-DIOXIN50585-40-5Dibenzo(b,e)(1,4)dioxin, 2,3-dibromo-7,8-dichloro-DTXSID10198604RefChem:337079DTXCID301210952,3-dibromo,7,8-dichloro-dibenzo-dioxinCHEMBL136430(-)-Inosine Dehydroxy-N-(6-iminohexyl)-2,2,2-trifluoroacetamide Phospho-morpholine((2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-((6-(2,2,2-trifluoroacetamido)hexyl)amino)-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl Morpholino Hydrogen Phosphate2,3-dibromo-7,8-dichlorooxanthreneSBSJXPIUKNBZND-UHFFFAOYSA-N
Show more names
BDBM50408320NS00001784
Database identifiers
- CAS
50585-40-5- PubChem CID
- 39728
- DTXSID
DTXSID10198604- ChEMBL
CHEMBL136430- Nikkaji
- J89.566K
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
- 290
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section164.4 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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